2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol

C11H19NO — CID 104549743

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CN1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-6-2-1-5-10(11)9-12-7-3-4-8-12/h3-4,10-11,13H,1-2,5-9H2
InChIKeyVSOWTWZTEQMXJB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds2

About 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol

2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol (PubChem CID 104549743) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
PubChem CID104549743
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CN1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-6-2-1-5-10(11)9-12-7-3-4-8-12/h3-4,10-11,13H,1-2,5-9H2
InChIKeyVSOWTWZTEQMXJB-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
[2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentyl]methanol
CID 104550180
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
2-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62611098
2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875
2-(2-azaspiro[3.3]heptan-2-ylmethyl)cyclopentan-1-ol
CID 104550153
2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63620255
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cyclopentan-1-ol
CID 79925411

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol (CID 104549743) is 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol is OC1CCCCC1CN1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is VSOWTWZTEQMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-6-2-1-5-10(11)9-12-7-3-4-8-12/h3-4,10-11,13H,1-2,5-9H2.
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 104549743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).