2-(cyclohexen-1-yl)pyrrolidine

C10H17N — CID 12799529

IUPAC2-(cyclohexen-1-yl)pyrrolidine
SMILESC1=C(C2CCCN2)CCCC1
InChIInChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10-11H,1-4,6-8H2
InChIKeyQVZUJVQVSHNALQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.24
Rot. Bonds1

About 2-(cyclohexen-1-yl)pyrrolidine

2-(cyclohexen-1-yl)pyrrolidine (PubChem CID 12799529) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)pyrrolidine
PubChem CID12799529
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(cyclohexen-1-yl)pyrrolidine
SMILESC1=C(C2CCCN2)CCCC1
InChIInChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10-11H,1-4,6-8H2
InChIKeyQVZUJVQVSHNALQ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 2-(cyclohexen-1-yl)pyrrolidine?
The IUPAC name of 2-(cyclohexen-1-yl)pyrrolidine (CID 12799529) is 2-(cyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 2-(cyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 2-(cyclohexen-1-yl)pyrrolidine is C1=C(C2CCCN2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)pyrrolidine?
The InChIKey is QVZUJVQVSHNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h5,10-11H,1-4,6-8H2.
What are the key properties of 2-(cyclohexen-1-yl)pyrrolidine?
2-(cyclohexen-1-yl)pyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 12799529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).