1-(4-methoxycyclohexen-1-yl)pyrrolidine

C11H19NO — CID 21491567

IUPAC1-(4-methoxycyclohexen-1-yl)pyrrolidine
SMILESCOC1CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H19NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3
InChIKeyIKZFNBPDKHJAJE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-methoxycyclohexen-1-yl)pyrrolidine

1-(4-methoxycyclohexen-1-yl)pyrrolidine (PubChem CID 21491567) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(4-methoxycyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methoxycyclohexen-1-yl)pyrrolidine
PubChem CID21491567
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(4-methoxycyclohexen-1-yl)pyrrolidine
SMILESCOC1CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H19NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3
InChIKeyIKZFNBPDKHJAJE-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxycyclohexen-1-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(4-methoxycyclohexen-1-yl)pyrrolidine (CID 21491567) is 1-(4-methoxycyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-methoxycyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-methoxycyclohexen-1-yl)pyrrolidine is COC1CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexen-1-yl)pyrrolidine?
The InChIKey is IKZFNBPDKHJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3.
What are the key properties of 1-(4-methoxycyclohexen-1-yl)pyrrolidine?
1-(4-methoxycyclohexen-1-yl)pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 21491567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).