N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine

C12H17N — CID 123525571

IUPACN-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C1C=CCC=CC1
InChIInChI=1S/C12H17N/c1-3-13-11(2)10-12-8-6-4-5-7-9-12/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b11-10-,13-3+
InChIKeySRRUVXXAFCUWCD-BGEZDZDMSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds2

About N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine

N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine (PubChem CID 123525571) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine
PubChem CID123525571
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C1C=CCC=CC1
InChIInChI=1S/C12H17N/c1-3-13-11(2)10-12-8-6-4-5-7-9-12/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b11-10-,13-3+
InChIKeySRRUVXXAFCUWCD-BGEZDZDMSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine 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 N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine (CID 123525571) is N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine is C/C=N/C(C)=C\C1C=CCC=CC1.
What is the InChIKey of N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine?
The InChIKey is SRRUVXXAFCUWCD-BGEZDZDMSA-N. The full InChI is InChI=1S/C12H17N/c1-3-13-11(2)10-12-8-6-4-5-7-9-12/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b11-10-,13-3+.
What are the key properties of N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine?
N-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine 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-[(Z)-1-cyclohepta-2,5-dien-1-ylprop-1-en-2-yl]ethanimine is sourced from PubChem (CID 123525571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).