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2-(pyrrolidin-1-ylmethyl)prop-2-enoic acid

2-(pyrrolidin-1-ylmethyl)prop-2-enoic acid

CAS: 163079-95-6

Formula: C8H13NO2

SMILES: OC(=O)C(=C)CN1CCCC1

IUPAC: 2-[(pyrrolidin-1-yl)methyl]prop-2-enoic acid

InChI: InChI=1S/C8H13NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h1-6H2,(H,10,11)

Composition: C (61.91%), H (8.44%), N (9.03%), O (20.62%)

Molar Mass: 155.197

Atom Count: 24

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 155.094628663
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NJQWKGMEAUKIKT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.69
Topological Polar Surface Area 40.54
Polarizability 16.54
Ring Count 1
Rotatable Bond Count 3

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