1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol

C13H21NO — CID 165498444

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1C=CC(O)(C2C=CCN2)CC1
InChIInChI=1S/C13H21NO/c1-10(2)11-5-7-13(15,8-6-11)12-4-3-9-14-12/h3-5,7,10-12,14-15H,6,8-9H2,1-2H3
InChIKeyLDWQDTSYGIUTML-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.87
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol

1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 165498444) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol
PubChem CID165498444
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1C=CC(O)(C2C=CCN2)CC1
InChIInChI=1S/C13H21NO/c1-10(2)11-5-7-13(15,8-6-11)12-4-3-9-14-12/h3-5,7,10-12,14-15H,6,8-9H2,1-2H3
InChIKeyLDWQDTSYGIUTML-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.87
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)-4-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol (CID 165498444) is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol is CC(C)C1C=CC(O)(C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is LDWQDTSYGIUTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)11-5-7-13(15,8-6-11)12-4-3-9-14-12/h3-5,7,10-12,14-15H,6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)-4-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.87, 2 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)-4-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 165498444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).