N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine

C10H11N — CID 59876421

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C1/C=CC=CC1
InChIInChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-6,8-9H,1,7H2/b10-9-,11-8+
InChIKeyVDNGJMYUJOZQKT-LMMFKTOUSA-N
MW145.20 g/mol
LogP2.64
Rot. Bonds2

About N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine

N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine (PubChem CID 59876421) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine
PubChem CID59876421
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C1/C=CC=CC1
InChIInChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-6,8-9H,1,7H2/b10-9-,11-8+
InChIKeyVDNGJMYUJOZQKT-LMMFKTOUSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]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

Benzazocine
CID 19879720
2H-1,4-Benzodiazepine
CID 21162934
3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
6h,7h-Quinoline
CID 67835501
Cycloheptindole
CID 87491806
Lithium 3-methylpyridin-2-ide
CID 16177570
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
1,5-Benzodiazocine
CID 23633143
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
magnesium;carbanide;5-methyl-3H-pyridin-3-ide
CID 20602998
2H-3-benzazepine
CID 23177331

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine (CID 59876421) is N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine is C=C/C=N/C=C1/C=CC=CC1.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine?
The InChIKey is VDNGJMYUJOZQKT-LMMFKTOUSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-6,8-9H,1,7H2/b10-9-,11-8+.
What are the key properties of N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine?
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine has a molecular weight of 145.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine is sourced from PubChem (CID 59876421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).