2-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide

2-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide

CAS: 1119450-45-1

Formula: C12H20BrNO

SMILES: CCC(Br)C(=O)NCCC1=CCCCC1

IUPAC: 2-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide

InChI: InChI=1/C12H20BrNO/c1-2-11(13)12(15)14-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3,(H,14,15)

Composition: C (52.56%), H (7.35%), Br (29.14%), N (5.11%), O (5.83%)

Molar Mass: 274.202

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	273.072827
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WDHAUNJRETWIML-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.39
Topological Polar Surface Area	29.1
Polarizability	25.74
Ring Count	1
Rotatable Bond Count	5

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