4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine

C11H13N — CID 123558907

IUPAC4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine
SMILESCC1=C/N=C\C2=CCCC2=CC1
InChIInChI=1S/C11H13N/c1-9-5-6-10-3-2-4-11(10)8-12-7-9/h4,6-8H,2-3,5H2,1H3/b9-7?,10-6?,12-8-
InChIKeyZSCKFWJEUXGUDW-BBWWDAOXSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds

About 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine

4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine (PubChem CID 123558907) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine
PubChem CID123558907
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine
SMILESCC1=C/N=C\C2=CCCC2=CC1
InChIInChI=1S/C11H13N/c1-9-5-6-10-3-2-4-11(10)8-12-7-9/h4,6-8H,2-3,5H2,1H3/b9-7?,10-6?,12-8-
InChIKeyZSCKFWJEUXGUDW-BBWWDAOXSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
CID 129225443
3-[(5E)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
CID 173693688
Tetrahydrodibenzo[c,f][1,5]azabismocine
CID 170984119
5-Methylcyclopenta[c]pyrrole
CID 17937711
3-Butylcyclopenta[b]pyrrole
CID 21095249
3-Pentylcyclopenta[c]pyrrole
CID 21095267
3,4-Diethylcyclopenta[c]pyrrole
CID 21095346
3,4-Dimethylcyclopenta[c]pyrrole
CID 21095372
3,4-Dipropylcyclopenta[c]pyrrole
CID 21095416
3-Ethylcyclopenta[c]pyrrole
CID 21095456
3,4,5-Triethylcyclopenta[c]pyrrole
CID 21095835
3,4,5-Trimethylcyclopenta[c]pyrrole
CID 21095854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine?
The IUPAC name of 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine (CID 123558907) is 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine.
What is the SMILES notation for 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine?
The canonical SMILES for 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine is CC1=C/N=C\C2=CCCC2=CC1.
What is the InChIKey of 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine?
The InChIKey is ZSCKFWJEUXGUDW-BBWWDAOXSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-6-10-3-2-4-11(10)8-12-7-9/h4,6-8H,2-3,5H2,1H3/b9-7?,10-6?,12-8-.
What are the key properties of 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine?
4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine has a molecular weight of 159.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine is sourced from PubChem (CID 123558907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).