N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine

C12H17N — CID 91413102

IUPACN-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine
SMILESC=C/C=N/C1=CCCC(C)C/C=C\1
InChIInChI=1S/C12H17N/c1-3-10-13-12-8-4-6-11(2)7-5-9-12/h3-4,8-11H,1,5-7H2,2H3/b8-4-,12-9?,13-10+
InChIKeyRQJFKLLFBFYKDM-IJWYQRCRSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds2

About N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine

N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine (PubChem CID 91413102) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine
PubChem CID91413102
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine
SMILESC=C/C=N/C1=CCCC(C)C/C=C\1
InChIInChI=1S/C12H17N/c1-3-10-13-12-8-4-6-11(2)7-5-9-12/h3-4,8-11H,1,5-7H2,2H3/b8-4-,12-9?,13-10+
InChIKeyRQJFKLLFBFYKDM-IJWYQRCRSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine 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-Butan-2-ylcyclopenta[b]pyrrole
CID 21095605
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
2-(2-Ethylbutylidene)pyrrole
CID 67602316
N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
4-(2-Propylpent-4-enyl)cyclopenta[b]pyrrole
CID 70164061
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
CID 71206431
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
8-Propan-2-yl-6,7-dihydroquinoline
CID 89144428
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195
(2E,6Z)-5-methyl-2-propan-2-yl-4,5-dihydroazocine
CID 90737213

Frequently Asked Questions

What is the IUPAC name of N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine?
The IUPAC name of N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine (CID 91413102) is N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine?
The canonical SMILES for N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine is C=C/C=N/C1=CCCC(C)C/C=C\1.
What is the InChIKey of N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine?
The InChIKey is RQJFKLLFBFYKDM-IJWYQRCRSA-N. The full InChI is InChI=1S/C12H17N/c1-3-10-13-12-8-4-6-11(2)7-5-9-12/h3-4,8-11H,1,5-7H2,2H3/b8-4-,12-9?,13-10+.
What are the key properties of N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine?
N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine has a molecular weight of 175.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7Z)-5-methylcycloocta-1,7-dien-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 91413102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).