3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine

C11H17NO — CID 173000734

IUPAC3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine
SMILESCN1CCC(OC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c1-12-8-7-11(9-12)13-10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3
InChIKeyZSVLXKUWSFNBSM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.94
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine

3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine (PubChem CID 173000734) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine
PubChem CID173000734
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine
SMILESCN1CCC(OC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c1-12-8-7-11(9-12)13-10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3
InChIKeyZSVLXKUWSFNBSM-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine 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 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine (CID 173000734) is 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine is CN1CCC(OC2=CCCC=C2)C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine?
The InChIKey is ZSVLXKUWSFNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-8-7-11(9-12)13-10-5-3-2-4-6-10/h3,5-6,11H,2,4,7-9H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine?
3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine is sourced from PubChem (CID 173000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).