1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol

C11H19NO — CID 103728388

IUPAC1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C11H19NO/c1-11(13)7-8-12(9-11)10-5-3-2-4-6-10/h3,5,10,13H,2,4,6-9H2,1H3
InChIKeyQMCGHEMPNUSGSZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol

1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol (PubChem CID 103728388) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol
PubChem CID103728388
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C11H19NO/c1-11(13)7-8-12(9-11)10-5-3-2-4-6-10/h3,5,10,13H,2,4,6-9H2,1H3
InChIKeyQMCGHEMPNUSGSZ-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol (CID 103728388) is 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol is CC1(O)CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol?
The InChIKey is QMCGHEMPNUSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(13)7-8-12(9-11)10-5-3-2-4-6-10/h3,5,10,13H,2,4,6-9H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol?
1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).