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

C14H24ClNO — CID 114188990

IUPAC2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(=CCl)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H24ClNO/c1-11(9-15)10-16-8-4-6-13(16)12-5-2-3-7-14(12)17/h9,12-14,17H,2-8,10H2,1H3
InChIKeyWAQLVLMVJNJZKO-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.14
Rot. Bonds3

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

2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114188990) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114188990
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(=CCl)CN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H24ClNO/c1-11(9-15)10-16-8-4-6-13(16)12-5-2-3-7-14(12)17/h9,12-14,17H,2-8,10H2,1H3
InChIKeyWAQLVLMVJNJZKO-UHFFFAOYSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.14
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)pyrrolidin-2-yl]cyclopentan-1-ol
CID 106440951
2-[1-(3-Chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
CID 106440952
2-[1-(3-Chloro-2-methylprop-2-enyl)piperidin-2-yl]cyclopentan-1-ol
CID 106440953
2-[[[(E)-3-chloroprop-2-enyl]-methylamino]methyl]cyclohexan-1-ol
CID 109999218
2-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 113569284
2-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 113569290
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339242
2-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339502
2-(1-Prop-2-enylpyrrolidin-2-yl)cyclohexan-1-ol
CID 114339534
2-(1-But-3-en-2-ylpyrrolidin-2-yl)cyclohexan-1-ol
CID 114339545

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114188990) is 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol is CC(=CCl)CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is WAQLVLMVJNJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-11(9-15)10-16-8-4-6-13(16)12-5-2-3-7-14(12)17/h9,12-14,17H,2-8,10H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 257.80 g/mol, XLogP of 3.14, 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]cyclohexan-1-ol is sourced from PubChem (CID 114188990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).