1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol

C11H17NO — CID 67821644

IUPAC1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccc[nH]2)CCCCC1
InChIInChI=1S/C11H17NO/c13-11(6-2-1-3-7-11)9-10-5-4-8-12-10/h4-5,8,12-13H,1-3,6-7,9H2
InChIKeyKSZVNIWHRHPRHW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.25
Rot. Bonds2

About 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol

1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol (PubChem CID 67821644) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol
PubChem CID67821644
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccc[nH]2)CCCCC1
InChIInChI=1S/C11H17NO/c13-11(6-2-1-3-7-11)9-10-5-4-8-12-10/h4-5,8,12-13H,1-3,6-7,9H2
InChIKeyKSZVNIWHRHPRHW-UHFFFAOYSA-N
XLogP2.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116928765
1-(1H-pyrrol-2-yl)cyclohexan-1-ol
CID 91037758
1-(1H-pyrazol-5-ylmethyl)cyclopentan-1-ol
CID 57455640
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
3-[(1-hydroxycyclobutyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
CID 119155989
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
CID 10609086
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 115272021
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol (CID 67821644) is 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol is OC1(Cc2ccc[nH]2)CCCCC1.
What is the InChIKey of 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is KSZVNIWHRHPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(6-2-1-3-7-11)9-10-5-4-8-12-10/h4-5,8,12-13H,1-3,6-7,9H2.
What are the key properties of 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol?
1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 67821644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).