1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine

C14H23NO — CID 129295731

IUPAC1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
SMILESCOC1=CCC(CCCN2CCCC2)C=C1
InChIInChI=1S/C14H23NO/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15/h6,8-9,13H,2-5,7,10-12H2,1H3
InChIKeyJGFCEAJAZOVCHR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine

1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine (PubChem CID 129295731) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
PubChem CID129295731
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
SMILESCOC1=CCC(CCCN2CCCC2)C=C1
InChIInChI=1S/C14H23NO/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15/h6,8-9,13H,2-5,7,10-12H2,1H3
InChIKeyJGFCEAJAZOVCHR-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]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-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine (CID 129295731) is 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine is COC1=CCC(CCCN2CCCC2)C=C1.
What is the InChIKey of 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine?
The InChIKey is JGFCEAJAZOVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-16-14-8-6-13(7-9-14)5-4-12-15-10-2-3-11-15/h6,8-9,13H,2-5,7,10-12H2,1H3.
What are the key properties of 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine?
1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine is sourced from PubChem (CID 129295731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).