(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine

C10H14N2 — CID 130350966

IUPAC(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
SMILESC=C/C(=C/C=N/C)C(=C)/N=C/C
InChIInChI=1S/C10H14N2/c1-5-10(7-8-11-4)9(3)12-6-2/h5-8H,1,3H2,2,4H3/b10-7-,11-8+,12-6+
InChIKeyBTRBOQMCPKVWSZ-PGJLQHPFSA-N
MW162.24 g/mol
LogP2.40
Rot. Bonds4

About (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine

(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine (PubChem CID 130350966) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine.

Molecular Properties

Compound Name(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
PubChem CID130350966
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
SMILESC=C/C(=C/C=N/C)C(=C)/N=C/C
InChIInChI=1S/C10H14N2/c1-5-10(7-8-11-4)9(3)12-6-2/h5-8H,1,3H2,2,4H3/b10-7-,11-8+,12-6+
InChIKeyBTRBOQMCPKVWSZ-PGJLQHPFSA-N
XLogP2.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?
The IUPAC name of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine (CID 130350966) is (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine.
What is the SMILES notation for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?
The canonical SMILES for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine is C=C/C(=C/C=N/C)C(=C)/N=C/C.
What is the InChIKey of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?
The InChIKey is BTRBOQMCPKVWSZ-PGJLQHPFSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-10(7-8-11-4)9(3)12-6-2/h5-8H,1,3H2,2,4H3/b10-7-,11-8+,12-6+.
What are the key properties of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?
(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine is sourced from PubChem (CID 130350966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).