(Z)-4-(ethylideneamino)-2-iminobut-3-enal

C6H8N2O — CID 134518111

IUPAC(Z)-4-(ethylideneamino)-2-iminobut-3-enal
SMILES[H]/N=C(C=O)/C=C\N=C\C
InChIInChI=1S/C6H8N2O/c1-2-8-4-3-6(7)5-9/h2-5,7H,1H3/b4-3-,7-6-,8-2+
InChIKeyOAVRZKHQCFEOME-LCONDBORSA-N
MW124.14 g/mol
LogP0.81
Rot. Bonds3

About (Z)-4-(ethylideneamino)-2-iminobut-3-enal

(Z)-4-(ethylideneamino)-2-iminobut-3-enal (PubChem CID 134518111) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)-2-iminobut-3-enal.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)-2-iminobut-3-enal
PubChem CID134518111
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(Z)-4-(ethylideneamino)-2-iminobut-3-enal
SMILES[H]/N=C(C=O)/C=C\N=C\C
InChIInChI=1S/C6H8N2O/c1-2-8-4-3-6(7)5-9/h2-5,7H,1H3/b4-3-,7-6-,8-2+
InChIKeyOAVRZKHQCFEOME-LCONDBORSA-N
XLogP0.81
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylideneamino)-2-iminobut-3-enal?
The IUPAC name of (Z)-4-(ethylideneamino)-2-iminobut-3-enal (CID 134518111) is (Z)-4-(ethylideneamino)-2-iminobut-3-enal.
What is the SMILES notation for (Z)-4-(ethylideneamino)-2-iminobut-3-enal?
The canonical SMILES for (Z)-4-(ethylideneamino)-2-iminobut-3-enal is [H]/N=C(C=O)/C=C\N=C\C.
What is the InChIKey of (Z)-4-(ethylideneamino)-2-iminobut-3-enal?
The InChIKey is OAVRZKHQCFEOME-LCONDBORSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-8-4-3-6(7)5-9/h2-5,7H,1H3/b4-3-,7-6-,8-2+.
What are the key properties of (Z)-4-(ethylideneamino)-2-iminobut-3-enal?
(Z)-4-(ethylideneamino)-2-iminobut-3-enal has a molecular weight of 124.14 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)-2-iminobut-3-enal is sourced from PubChem (CID 134518111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).