1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine

C11H17N — CID 596041

IUPAC1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine
SMILESC1=CCC(=CN2CCCC2)CC1
InChIInChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2
InChIKeyKIEOJVRTCDEYFN-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds1

About 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine

1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine (PubChem CID 596041) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine
PubChem CID596041
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine
SMILESC1=CCC(=CN2CCCC2)CC1
InChIInChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2
InChIKeyKIEOJVRTCDEYFN-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
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-3-en-1-ylidenemethyl)pyrrolidine?
The IUPAC name of 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine (CID 596041) is 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine is C1=CCC(=CN2CCCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine?
The InChIKey is KIEOJVRTCDEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2.
What are the key properties of 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine?
1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylidenemethyl)pyrrolidine is sourced from PubChem (CID 596041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).