(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine

C9H13N — CID 88915467

IUPAC(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(\C)C(=C)C
InChIInChI=1S/C9H13N/c1-5-10-7-6-9(4)8(2)3/h5-7H,1-2H2,3-4H3/b9-6+,10-7+
InChIKeyWFRVSXSVNVWFCH-KZZDLZNXSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine

(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine (PubChem CID 88915467) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine
PubChem CID88915467
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(\C)C(=C)C
InChIInChI=1S/C9H13N/c1-5-10-7-6-9(4)8(2)3/h5-7H,1-2H2,3-4H3/b9-6+,10-7+
InChIKeyWFRVSXSVNVWFCH-KZZDLZNXSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine (CID 88915467) is (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine is C=C/N=C/C=C(\C)C(=C)C.
What is the InChIKey of (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine?
The InChIKey is WFRVSXSVNVWFCH-KZZDLZNXSA-N. The full InChI is InChI=1S/C9H13N/c1-5-10-7-6-9(4)8(2)3/h5-7H,1-2H2,3-4H3/b9-6+,10-7+.
What are the key properties of (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine?
(2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-3,4-dimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 88915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).