2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol

C17H31NO — CID 107011018

IUPAC2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESC=CCCCCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H31NO/c1-2-3-4-5-8-13-18-14-9-11-16(18)15-10-6-7-12-17(15)19/h2,15-17,19H,1,3-14H2
InChIKeyUEJILYPPLWLRBZ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds7

About 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol

2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol (PubChem CID 107011018) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
PubChem CID107011018
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
SMILESC=CCCCCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H31NO/c1-2-3-4-5-8-13-18-14-9-11-16(18)15-10-6-7-12-17(15)19/h2,15-17,19H,1,3-14H2
InChIKeyUEJILYPPLWLRBZ-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11207827
8-(3-Methylhex-5-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104168046
1-[1-(3-Methylhex-5-en-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 104175789
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
CID 107008693
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
CID 107011017
2-(1-Hept-6-enylpiperidin-2-yl)cyclohexan-1-ol
CID 107011019
2-(1-Hept-6-enylpiperidin-2-yl)cyclopentan-1-ol
CID 107011020
1-[1-(Cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 109934218
2-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 113569290
2-(1-Pent-4-enylpiperidin-2-yl)cyclohexan-1-ol
CID 113569316
2-(1-Pent-4-enylpiperidin-2-yl)cyclopentan-1-ol
CID 113569338

Frequently Asked Questions

What is the IUPAC name of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol (CID 107011018) is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol is C=CCCCCCN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol?
The InChIKey is UEJILYPPLWLRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-3-4-5-8-13-18-14-9-11-16(18)15-10-6-7-12-17(15)19/h2,15-17,19H,1,3-14H2.
What are the key properties of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol?
2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 107011018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).