1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol

C10H17NO — CID 130510136

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol
SMILESOC1(C2C=CCN2)CCCCC1
InChIInChI=1S/C10H17NO/c12-10(6-2-1-3-7-10)9-5-4-8-11-9/h4-5,9,11-12H,1-3,6-8H2
InChIKeyHKWUPIVMBAHFCH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds1

About 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol

1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol (PubChem CID 130510136) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol
PubChem CID130510136
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol
SMILESOC1(C2C=CCN2)CCCCC1
InChIInChI=1S/C10H17NO/c12-10(6-2-1-3-7-10)9-5-4-8-11-9/h4-5,9,11-12H,1-3,6-8H2
InChIKeyHKWUPIVMBAHFCH-UHFFFAOYSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol (CID 130510136) is 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol is OC1(C2C=CCN2)CCCCC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol?
The InChIKey is HKWUPIVMBAHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10(6-2-1-3-7-10)9-5-4-8-11-9/h4-5,9,11-12H,1-3,6-8H2.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 130510136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).