(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine

C14H17N — CID 144983883

IUPAC(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C1=CCC=CC=C1/C=C/C
InChIInChI=1S/C14H17N/c1-3-5-12-15-14-11-8-6-7-10-13(14)9-4-2/h3-7,9-12H,8H2,1-2H3/b5-3-,9-4+,15-12+
InChIKeyPILWSSOHCDHEQV-BMCQXTTDSA-N
MW199.30 g/mol
LogP3.98
Rot. Bonds3

About (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine

(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine (PubChem CID 144983883) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
PubChem CID144983883
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C1=CCC=CC=C1/C=C/C
InChIInChI=1S/C14H17N/c1-3-5-12-15-14-11-8-6-7-10-13(14)9-4-2/h3-7,9-12H,8H2,1-2H3/b5-3-,9-4+,15-12+
InChIKeyPILWSSOHCDHEQV-BMCQXTTDSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-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

ethane;(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine
CID 144983882
N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
CID 178128673
1-[methyl-[1-[7-[(Z)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]ethenyl]phosphoryl]naphthalene
CID 166692062
(6E)-6-[(Z)-but-2-enylidene]cyclohexa-1,3-dien-1-ol
CID 142173984
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
CID 12818328
4-[[(E)-but-2-enylidene]amino]phenol
CID 131246971
2-[[(E)-but-2-enylidene]amino]phenol
CID 24796549
6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 22726424
1-methylcycloocta-1,3,6-triene
CID 72521543
8H-cyclohepta[b]pyran-2-one
CID 143529641
ethane;(7-methylcyclohepta-1,3,6-trien-1-yl) (Z)-but-2-enoate
CID 142062038

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine (CID 144983883) is (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine is C/C=C\C=N\C1=CCC=CC=C1/C=C/C.
What is the InChIKey of (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine?
The InChIKey is PILWSSOHCDHEQV-BMCQXTTDSA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-12-15-14-11-8-6-7-10-13(14)9-4-2/h3-7,9-12H,8H2,1-2H3/b5-3-,9-4+,15-12+.
What are the key properties of (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine?
(Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[7-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]but-2-en-1-imine is sourced from PubChem (CID 144983883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).