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3-methylpyrrolidin-2-one

3-methylpyrrolidin-2-one

CAS: 2555-05-7

Formula: C5H9NO

SMILES: CC1CCNC1=O

IUPAC: 3-methylpyrrolidin-2-one

InChI: InChI=1/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)

Composition: C (60.58%), H (9.15%), N (14.13%), O (16.14%)

Molar Mass: 99.133

Atom Count: 16

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 99.068413914
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AOCWQPKHSMJWPL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.83
Topological Polar Surface Area 29.1
Polarizability 10.43
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
96% <5 Days 2555-05-7 $554.00-$1,016.00$554.00$1,016.00
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97% <5 Days 2555-05-7 $132.41-$278.68$132.41$195.46$278.68
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