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2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde

2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde

CAS: 887833-61-6

Formula: C13H15NO3

SMILES: O=CC1=C(OCCN2CCCC2=O)C=CC=C1

IUPAC: 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzaldehyde

InChI: InChI=1S/C13H15NO3/c15-10-11-4-1-2-5-12(11)17-9-8-14-7-3-6-13(14)16/h1-2,4-5,10H,3,6-9H2

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.105193347
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JXTAKYWQZDOYQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.29
Topological Polar Surface Area 46.61
Polarizability 24.44
Ring Count 2
Rotatable Bond Count 5

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