1-cyclohex-2-en-1-yl-2-methylpyrrolidine

C11H19N — CID 126995474

IUPAC1-cyclohex-2-en-1-yl-2-methylpyrrolidine
SMILESCC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H19N/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h3,7,10-11H,2,4-6,8-9H2,1H3
InChIKeyQFFAFBWDIRZESM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-2-methylpyrrolidine

1-cyclohex-2-en-1-yl-2-methylpyrrolidine (PubChem CID 126995474) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2-methylpyrrolidine
PubChem CID126995474
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclohex-2-en-1-yl-2-methylpyrrolidine
SMILESCC1CCCN1C1C=CCCC1
InChIInChI=1S/C11H19N/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h3,7,10-11H,2,4-6,8-9H2,1H3
InChIKeyQFFAFBWDIRZESM-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-methylpyrrolidine?
The IUPAC name of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine (CID 126995474) is 1-cyclohex-2-en-1-yl-2-methylpyrrolidine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2-methylpyrrolidine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2-methylpyrrolidine is CC1CCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine?
The InChIKey is QFFAFBWDIRZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h3,7,10-11H,2,4-6,8-9H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine?
1-cyclohex-2-en-1-yl-2-methylpyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-2-methylpyrrolidine is sourced from PubChem (CID 126995474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).