1-(cyclohexen-1-ylmethyl)pyrrolidine

C11H19N — CID 12917203

IUPAC1-(cyclohexen-1-ylmethyl)pyrrolidine
SMILESC1=C(CN2CCCC2)CCCC1
InChIInChI=1S/C11H19N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6H,1-5,7-10H2
InChIKeyRRMXTUKPHVVGDL-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds2

About 1-(cyclohexen-1-ylmethyl)pyrrolidine

1-(cyclohexen-1-ylmethyl)pyrrolidine (PubChem CID 12917203) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)pyrrolidine
PubChem CID12917203
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(cyclohexen-1-ylmethyl)pyrrolidine
SMILESC1=C(CN2CCCC2)CCCC1
InChIInChI=1S/C11H19N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6H,1-5,7-10H2
InChIKeyRRMXTUKPHVVGDL-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(cyclohexen-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)pyrrolidine (CID 12917203) is 1-(cyclohexen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)pyrrolidine is C1=C(CN2CCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)pyrrolidine?
The InChIKey is RRMXTUKPHVVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6H,1-5,7-10H2.
What are the key properties of 1-(cyclohexen-1-ylmethyl)pyrrolidine?
1-(cyclohexen-1-ylmethyl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 12917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).