3-bromo-1-methylpiperidin-2-one

3-bromo-1-methylpiperidin-2-one

CAS: 49785-85-5

Formula: C6H10BrNO

SMILES: CN1CCCC(Br)C1=O

IUPAC: 3-bromo-1-methylpiperidin-2-one

InChI: InChI=1/C6H10BrNO/c1-8-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3

Composition: C (37.52%), H (5.25%), Br (41.60%), N (7.29%), O (8.33%)

Molar Mass: 192.056

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	190.994577
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BCDLQVAFWJZKTG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.28
Topological Polar Surface Area	20.31
Polarizability	15.13
Ring Count	1
Rotatable Bond Count	0

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