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

C13H22ClNO — CID 114339589

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1C/C=C/Cl
InChIInChI=1S/C13H22ClNO/c14-8-4-10-15-9-3-6-12(15)11-5-1-2-7-13(11)16/h4,8,11-13,16H,1-3,5-7,9-10H2/b8-4+
InChIKeySNHQCQHUANJPAQ-XBXARRHUSA-N
MW243.78 g/mol
LogP2.75
Rot. Bonds3

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

2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339589) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339589
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1C/C=C/Cl
InChIInChI=1S/C13H22ClNO/c14-8-4-10-15-9-3-6-12(15)11-5-1-2-7-13(11)16/h4,8,11-13,16H,1-3,5-7,9-10H2/b8-4+
InChIKeySNHQCQHUANJPAQ-XBXARRHUSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339589) is 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1C/C=C/Cl.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is SNHQCQHUANJPAQ-XBXARRHUSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-8-4-10-15-9-3-6-12(15)11-5-1-2-7-13(11)16/h4,8,11-13,16H,1-3,5-7,9-10H2/b8-4+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-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-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).