3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol

C11H19NO — CID 106131669

IUPAC3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCC(CN2CC=CC2)C1
InChIInChI=1S/C11H19NO/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-12/h1-2,10-11,13H,3-9H2
InChIKeyFDBNWRALFDBQHW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds2

About 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol

3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol (PubChem CID 106131669) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
PubChem CID106131669
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
SMILESOC1CCCC(CN2CC=CC2)C1
InChIInChI=1S/C11H19NO/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-12/h1-2,10-11,13H,3-9H2
InChIKeyFDBNWRALFDBQHW-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'}

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Related Compounds

3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 106131519
2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 104549743
4-[(3-hydroxycyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 106131696
[2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentyl]methanol
CID 104550180
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol
CID 130599429
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 106131586
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol (CID 106131669) is 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol is OC1CCCC(CN2CC=CC2)C1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is FDBNWRALFDBQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-12/h1-2,10-11,13H,3-9H2.
What are the key properties of 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol?
3-(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 3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 106131669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).