1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine

C12H20ClN — CID 103598192

IUPAC1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine
SMILESClC=CCN1CCCC1C1CCCC1
InChIInChI=1S/C12H20ClN/c13-8-4-10-14-9-3-7-12(14)11-5-1-2-6-11/h4,8,11-12H,1-3,5-7,9-10H2
InChIKeyQDBCCLDNEYZMSB-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine

1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine (PubChem CID 103598192) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine
PubChem CID103598192
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine
SMILESClC=CCN1CCCC1C1CCCC1
InChIInChI=1S/C12H20ClN/c13-8-4-10-14-9-3-7-12(14)11-5-1-2-6-11/h4,8,11-12H,1-3,5-7,9-10H2
InChIKeyQDBCCLDNEYZMSB-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine?
The IUPAC name of 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine (CID 103598192) is 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine.
What is the SMILES notation for 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine?
The canonical SMILES for 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine is ClC=CCN1CCCC1C1CCCC1.
What is the InChIKey of 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine?
The InChIKey is QDBCCLDNEYZMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN/c13-8-4-10-14-9-3-7-12(14)11-5-1-2-6-11/h4,8,11-12H,1-3,5-7,9-10H2.
What are the key properties of 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine?
1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine has a molecular weight of 213.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-2-enyl)-2-cyclopentylpyrrolidine is sourced from PubChem (CID 103598192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).