2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol

C13H22ClNO — CID 106440951

IUPAC2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(=CCl)CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H22ClNO/c1-10(8-14)9-15-7-3-5-12(15)11-4-2-6-13(11)16/h8,11-13,16H,2-7,9H2,1H3
InChIKeyPHFKHAFMCNMDNC-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 106440951) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID106440951
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCC(=CCl)CN1CCCC1C1CCCC1O
InChIInChI=1S/C13H22ClNO/c1-10(8-14)9-15-7-3-5-12(15)11-4-2-6-13(11)16/h8,11-13,16H,2-7,9H2,1H3
InChIKeyPHFKHAFMCNMDNC-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.75
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
1-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 106440949
2-[1-(3-Chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclopentan-1-ol
CID 106440953
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-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-(2-Methylidenebutyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339192
2-[1-[(E)-but-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339230
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339242
2-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 106440951) is 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol is CC(=CCl)CN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is PHFKHAFMCNMDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-10(8-14)9-15-7-3-5-12(15)11-4-2-6-13(11)16/h8,11-13,16H,2-7,9H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 243.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 106440951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).