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

C8H12BrNO — CID 81222619

IUPAC2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CBr)C1=CCCC1
InChIInChI=1S/C8H12BrNO/c1-10(8(11)6-9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeyOTEIUSUMVPURKV-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.91
Rot. Bonds2

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

2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 81222619) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID81222619
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CBr)C1=CCCC1
InChIInChI=1S/C8H12BrNO/c1-10(8(11)6-9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeyOTEIUSUMVPURKV-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.91
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-(cyclohexen-1-yl)-N-methylacetamide
CID 101200162
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-(cyclopenten-1-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79389356
3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]propanoic acid
CID 61011314
N-(cyclopenten-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115640803
N-(cyclopenten-1-yl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-methylacetamide
CID 115877302
ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010863
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64917116
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979172

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide (CID 81222619) is 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CBr)C1=CCCC1.
What is the InChIKey of 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is OTEIUSUMVPURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-10(8(11)6-9)7-4-2-3-5-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide?
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 218.09 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 81222619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).