(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone

C11H18ClNO — CID 107183882

IUPAC(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCC(Cl)C1
InChIInChI=1S/C11H18ClNO/c1-8-3-2-4-10(8)11(14)13-6-5-9(12)7-13/h8-10H,2-7H2,1H3
InChIKeyUDLHWPGJUMZVRZ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds1

About (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone

(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107183882) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone
PubChem CID107183882
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1CCC(Cl)C1
InChIInChI=1S/C11H18ClNO/c1-8-3-2-4-10(8)11(14)13-6-5-9(12)7-13/h8-10H,2-7H2,1H3
InChIKeyUDLHWPGJUMZVRZ-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.26
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

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide
CID 107490931
N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 107492015
2-Cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 143556413
4-Chloro-1,3-bis(2-methylpropyl)pyrrolidin-2-one
CID 177941147
(4-Butylcyclohexyl)-(3-chloropyrrolidin-1-yl)methanone
CID 55185536
N-(2-chloroethyl)-N-cyclopentyl-2-ethylhexanamide
CID 55186834
N-(3-chloropropyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 55187212
1-[2-(3-Chloropropyl)pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
CID 55187451
N-(2-chloroethyl)-N,2-dicyclopentylacetamide
CID 55187787
2-Chloro-3-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 62225923
2-chloro-2-cyclopentyl-N,N-diethylacetamide
CID 62226484
2-Chloro-2-cyclopentyl-1-pyrrolidin-1-ylethanone
CID 62226684

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone (CID 107183882) is (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)N1CCC(Cl)C1.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is UDLHWPGJUMZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8-3-2-4-10(8)11(14)13-6-5-9(12)7-13/h8-10H,2-7H2,1H3.
What are the key properties of (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone?
(3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 215.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107183882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).