1-methylazepan-4-one

1-methylazepan-4-one

CAS: 1859-33-2

Formula: C7H13NO

SMILES: CN1CCCC(=O)CC1

IUPAC: 1-methylazepan-4-one

InChI: InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3

Composition: C (66.11%), H (10.30%), N (11.01%), O (12.58%)

Molar Mass: 127.187

Atom Count: 22

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	127.099714043
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HXCVYSRFFKEHEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.22
Topological Polar Surface Area	20.31
Polarizability	14.49
Ring Count	1
Rotatable Bond Count	0

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