N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine

C9H11N — CID 123630844

IUPACN-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NCC)C=C1
InChIInChI=1S/C9H11N/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,2-3H2,1H3
InChIKeySDPGMHAAJDNABY-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds1

About N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine

N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine (PubChem CID 123630844) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine
PubChem CID123630844
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NCC)C=C1
InChIInChI=1S/C9H11N/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,2-3H2,1H3
InChIKeySDPGMHAAJDNABY-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methylidenecyclohexa-2,5-dien-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine (CID 123630844) is N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine is C=C1C=CC(=NCC)C=C1.
What is the InChIKey of N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is SDPGMHAAJDNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,2-3H2,1H3.
What are the key properties of N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 123630844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).