1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone

C9H13BrO — CID 13429439

IUPAC1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
SMILESCC(=O)C1(C)CCC/C1=C/Br
InChIInChI=1S/C9H13BrO/c1-7(11)9(2)5-3-4-8(9)6-10/h6H,3-5H2,1-2H3/b8-6-
InChIKeyDVQFXWTXEKWWFT-VURMDHGXSA-N
MW217.11 g/mol
LogP3.04
Rot. Bonds1

About 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone

1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone (PubChem CID 13429439) has the molecular formula C9H13BrO and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
PubChem CID13429439
Molecular FormulaC9H13BrO
Molecular Weight217.11 g/mol
Exact Mass216.01
IUPAC Name1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
SMILESCC(=O)C1(C)CCC/C1=C/Br
InChIInChI=1S/C9H13BrO/c1-7(11)9(2)5-3-4-8(9)6-10/h6H,3-5H2,1-2H3/b8-6-
InChIKeyDVQFXWTXEKWWFT-VURMDHGXSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 7140213
1-[(1S,3aR,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 67493624
1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane
CID 143477692
1-[(1S,3aR,4E,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 59456514
1-methyl-2-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 118389135
2-acetyl-2-methylcyclopropan-1-one
CID 58194854
methyl (2Z)-2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
CID 5355187
1-(1-methyl-3,4,9,10-tetrahydro-2H-phenanthren-1-yl)ethanone
CID 14042507
1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone;hydrochloride
CID 176883294
2-(2-hydroxyacetyl)-2-methylcyclopentan-1-one
CID 12034555
(E)-3-methyl-4-(2,3,3-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 15462329
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone (CID 13429439) is 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone is CC(=O)C1(C)CCC/C1=C/Br.
What is the InChIKey of 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone?
The InChIKey is DVQFXWTXEKWWFT-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13BrO/c1-7(11)9(2)5-3-4-8(9)6-10/h6H,3-5H2,1-2H3/b8-6-.
What are the key properties of 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone?
1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone has a molecular weight of 217.11 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone is sourced from PubChem (CID 13429439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).