1-(furan-3-carbonyl)-1,4-diazepane

1-(furan-3-carbonyl)-1,4-diazepane

CAS: 915923-81-8

Formula: C10H14N2O2

SMILES: O=C(N1CCCNCC1)C1=COC=C1

IUPAC: 1-(furan-3-carbonyl)-1,4-diazepane

InChI: InChI=1S/C10H14N2O2/c13-10(9-2-7-14-8-9)12-5-1-3-11-4-6-12/h2,7-8,11H,1,3-6H2

Composition: C (61.84%), H (7.27%), N (14.42%), O (16.47%)

Molar Mass: 194.234

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.105527699
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HVPYRRBZJNYSJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.06
Topological Polar Surface Area	45.48
Polarizability	20.06
Ring Count	2
Rotatable Bond Count	1

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