2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide

C9H14BrNO — CID 101200162

IUPAC2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
SMILESCN(C(=O)CBr)C1=CCCCC1
InChIInChI=1S/C9H14BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyHMLIISMLLBKCSB-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.30
Rot. Bonds2

About 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide

2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide (PubChem CID 101200162) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
PubChem CID101200162
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide
SMILESCN(C(=O)CBr)C1=CCCCC1
InChIInChI=1S/C9H14BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyHMLIISMLLBKCSB-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
N-(cyclohexen-1-yl)-N-hydroxypropanamide
CID 163456933
N-(cyclopenten-1-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79389356
3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64917116
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61011314
N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
CID 115877302
N-(cyclopenten-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115640803
ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide (CID 101200162) is 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide is CN(C(=O)CBr)C1=CCCCC1.
What is the InChIKey of 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide?
The InChIKey is HMLIISMLLBKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide?
2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide has a molecular weight of 232.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohexen-1-yl)-N-methylacetamide is sourced from PubChem (CID 101200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).