2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol

C16H27NO — CID 114620908

IUPAC2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1C1C=CCCC1
InChIInChI=1S/C16H27NO/c18-16-11-5-4-9-14(16)15-10-6-12-17(15)13-7-2-1-3-8-13/h2,7,13-16,18H,1,3-6,8-12H2
InChIKeyQDNAWYASRWPMLC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds2

About 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol

2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol (PubChem CID 114620908) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol
PubChem CID114620908
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1C1C=CCCC1
InChIInChI=1S/C16H27NO/c18-16-11-5-4-9-14(16)15-10-6-12-17(15)13-7-2-1-3-8-13/h2,7,13-16,18H,1,3-6,8-12H2
InChIKeyQDNAWYASRWPMLC-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpyrrolidine
CID 20387372
cyclohexylmethanol;methane;1-methyl-2-[(E)-prop-1-enyl]pyrrolidine;hydrate
CID 143016893
(1R,2S,5R)-2-[2-[(3aS,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10518701
(1R,2S,5R)-2-[2-[(3aS,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10566524
(1R,2S,5R)-2-[2-[(3aR,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10590724
(1R,2S,5R)-2-[2-[(3aR,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10756996
(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11737875
(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol
CID 11831888
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
CID 107011018
2-(1-Hept-6-enylpiperidin-2-yl)cyclohexan-1-ol
CID 107011019
2-[(Cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
CID 107907075
3-[1-(Cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 109931165

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol (CID 114620908) is 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol is OC1CCCCC1C1CCCN1C1C=CCCC1.
What is the InChIKey of 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol?
The InChIKey is QDNAWYASRWPMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-16-11-5-4-9-14(16)15-10-6-12-17(15)13-7-2-1-3-8-13/h2,7,13-16,18H,1,3-6,8-12H2.
What are the key properties of 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol?
2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 114620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).