1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid

C10H15ClO2 — CID 106439373

IUPAC1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid
SMILESCC(=CCl)CC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15ClO2/c1-8(7-11)6-10(9(12)13)4-2-3-5-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyLGOJJCOEQVPHDF-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid

1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid (PubChem CID 106439373) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid
PubChem CID106439373
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid
SMILESCC(=CCl)CC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15ClO2/c1-8(7-11)6-10(9(12)13)4-2-3-5-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyLGOJJCOEQVPHDF-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-methylprop-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 106439385
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CID 114188987
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
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1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
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1-[(Z)-2-methoxycarbonylbut-2-enyl]cyclopentane-1-carboxylic acid
CID 20755387
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-but-2-enylcycloheptane-1-carboxylic acid
CID 79429503
CID 89009885
CID 89009885
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1-propylcyclooctane-1-carboxylic acid
CID 80611944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid (CID 106439373) is 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid is CC(=CCl)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid?
The InChIKey is LGOJJCOEQVPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-8(7-11)6-10(9(12)13)4-2-3-5-10/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid?
1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid has a molecular weight of 202.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106439373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).