4-(2-oxopyrrolidin-1-yl)benzaldehyde

4-(2-oxopyrrolidin-1-yl)benzaldehyde

CAS: 36151-45-8

Formula: C11H11NO2

SMILES: O=CC1=CC=C(C=C1)N1CCCC1=O

IUPAC: 4-(2-oxopyrrolidin-1-yl)benzaldehyde

InChI: InChI=1S/C11H11NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,8H,1-2,7H2

Composition: C (69.83%), H (5.86%), N (7.40%), O (16.91%)

Molar Mass: 189.214

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.078978598
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VADZUJOCSAESJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.52
Topological Polar Surface Area	37.38
Polarizability	20.06
Ring Count	2
Rotatable Bond Count	2

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