4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

C10H15NO — CID 142305976

IUPAC4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCOC1=CC2CC2C=C1N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)9-5-7-4-8(7)6-10(9)12-3/h5-8H,4H2,1-3H3
InChIKeyZODZEMXJLSBJSP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.61
Rot. Bonds2

About 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 142305976) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID142305976
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCOC1=CC2CC2C=C1N(C)C
InChIInChI=1S/C10H15NO/c1-11(2)9-5-7-4-8(7)6-10(9)12-3/h5-8H,4H2,1-3H3
InChIKeyZODZEMXJLSBJSP-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine 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 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 142305976) is 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is COC1=CC2CC2C=C1N(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is ZODZEMXJLSBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11(2)9-5-7-4-8(7)6-10(9)12-3/h5-8H,4H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 142305976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).