1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine

C12H21N — CID 10944743

IUPAC1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine
SMILESC1=C(CCN2CCCC2)CCCC1
InChIInChI=1S/C12H21N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6H,1-5,7-11H2
InChIKeyPHCYATWLGACSBN-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine

1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine (PubChem CID 10944743) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine
PubChem CID10944743
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine
SMILESC1=C(CCN2CCCC2)CCCC1
InChIInChI=1S/C12H21N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6H,1-5,7-11H2
InChIKeyPHCYATWLGACSBN-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.97
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-[2-(cyclohexen-1-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine (CID 10944743) is 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine is C1=C(CCN2CCCC2)CCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine?
The InChIKey is PHCYATWLGACSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h6H,1-5,7-11H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine?
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 10944743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).