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

C12H19NO — CID 165497713

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(C2C=CCN2)CC1
InChIInChI=1S/C12H19NO/c1-2-10-5-7-12(14,8-6-10)11-4-3-9-13-11/h3-5,7,10-11,13-14H,2,6,8-9H2,1H3
InChIKeyLBYHFFPWOCYDDM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.62
Rot. Bonds2

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

1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol (PubChem CID 165497713) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol
PubChem CID165497713
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(C2C=CCN2)CC1
InChIInChI=1S/C12H19NO/c1-2-10-5-7-12(14,8-6-10)11-4-3-9-13-11/h3-5,7,10-11,13-14H,2,6,8-9H2,1H3
InChIKeyLBYHFFPWOCYDDM-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.62
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-ethylcyclohex-2-en-1-ol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol (CID 165497713) is 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol is CCC1C=CC(O)(C2C=CCN2)CC1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol?
The InChIKey is LBYHFFPWOCYDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-5-7-12(14,8-6-10)11-4-3-9-13-11/h3-5,7,10-11,13-14H,2,6,8-9H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol?
1-(2,5-dihydro-1H-pyrrol-2-yl)-4-ethylcyclohex-2-en-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.62, 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-ethylcyclohex-2-en-1-ol is sourced from PubChem (CID 165497713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).