2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol

C12H20ClNO — CID 114339242

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1C/C=C/Cl
InChIInChI=1S/C12H20ClNO/c13-7-3-9-14-8-2-5-11(14)10-4-1-6-12(10)15/h3,7,10-12,15H,1-2,4-6,8-9H2/b7-3+
InChIKeyZKKXDLNGWJNICV-XVNBXDOJSA-N
MW229.75 g/mol
LogP2.36
Rot. Bonds3

About 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339242) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339242
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1C/C=C/Cl
InChIInChI=1S/C12H20ClNO/c13-7-3-9-14-8-2-5-11(14)10-4-1-6-12(10)15/h3,7,10-12,15H,1-2,4-6,8-9H2/b7-3+
InChIKeyZKKXDLNGWJNICV-XVNBXDOJSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 104893916
2-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 106440951
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 107011017
2-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 113569284
2-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114188990
2-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339132
2-(1-Pent-4-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339173
2-(1-Prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339174
2-(1-But-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339187
2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339230
2-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339276
2-(1-But-3-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 114339380

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339242) is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1C/C=C/Cl.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is ZKKXDLNGWJNICV-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-7-3-9-14-8-2-5-11(14)10-4-1-6-12(10)15/h3,7,10-12,15H,1-2,4-6,8-9H2/b7-3+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 229.75 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).