N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine

C8H11N — CID 89384307

IUPACN-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
SMILESC=C=C/C=N/C(C)=C\C
InChIInChI=1S/C8H11N/c1-4-6-7-9-8(3)5-2/h5-7H,1H2,2-3H3/b8-5-,9-7+
InChIKeyIOBAXELMFHAYAQ-ANVCMGODSA-N
MW121.18 g/mol
LogP2.32
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine

N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine (PubChem CID 89384307) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
PubChem CID89384307
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
SMILESC=C=C/C=N/C(C)=C\C
InChIInChI=1S/C8H11N/c1-4-6-7-9-8(3)5-2/h5-7H,1H2,2-3H3/b8-5-,9-7+
InChIKeyIOBAXELMFHAYAQ-ANVCMGODSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-but-2-en-2-yl]buta-2,3-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-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine (CID 89384307) is N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine is C=C=C/C=N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine?
The InChIKey is IOBAXELMFHAYAQ-ANVCMGODSA-N. The full InChI is InChI=1S/C8H11N/c1-4-6-7-9-8(3)5-2/h5-7H,1H2,2-3H3/b8-5-,9-7+.
What are the key properties of N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine?
N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine is sourced from PubChem (CID 89384307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).