(E)-2-ethanimidoyl-4-iminopent-2-enal

C7H10N2O — CID 142310890

IUPAC(E)-2-ethanimidoyl-4-iminopent-2-enal
SMILES[H]/N=C(C)/C=C(C=O)\C(C)=N\[H]
InChIInChI=1S/C7H10N2O/c1-5(8)3-7(4-10)6(2)9/h3-4,8-9H,1-2H3/b7-3-,8-5+,9-6+
InChIKeyFVCOWIGBVIDYCW-FAOFIFDSSA-N
MW138.17 g/mol
LogP1.19
Rot. Bonds3

About (E)-2-ethanimidoyl-4-iminopent-2-enal

(E)-2-ethanimidoyl-4-iminopent-2-enal (PubChem CID 142310890) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-2-ethanimidoyl-4-iminopent-2-enal.

Molecular Properties

Compound Name(E)-2-ethanimidoyl-4-iminopent-2-enal
PubChem CID142310890
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(E)-2-ethanimidoyl-4-iminopent-2-enal
SMILES[H]/N=C(C)/C=C(C=O)\C(C)=N\[H]
InChIInChI=1S/C7H10N2O/c1-5(8)3-7(4-10)6(2)9/h3-4,8-9H,1-2H3/b7-3-,8-5+,9-6+
InChIKeyFVCOWIGBVIDYCW-FAOFIFDSSA-N
XLogP1.19
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethanimidoyl-4-iminopent-2-enal?
The IUPAC name of (E)-2-ethanimidoyl-4-iminopent-2-enal (CID 142310890) is (E)-2-ethanimidoyl-4-iminopent-2-enal.
What is the SMILES notation for (E)-2-ethanimidoyl-4-iminopent-2-enal?
The canonical SMILES for (E)-2-ethanimidoyl-4-iminopent-2-enal is [H]/N=C(C)/C=C(C=O)\C(C)=N\[H].
What is the InChIKey of (E)-2-ethanimidoyl-4-iminopent-2-enal?
The InChIKey is FVCOWIGBVIDYCW-FAOFIFDSSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(8)3-7(4-10)6(2)9/h3-4,8-9H,1-2H3/b7-3-,8-5+,9-6+.
What are the key properties of (E)-2-ethanimidoyl-4-iminopent-2-enal?
(E)-2-ethanimidoyl-4-iminopent-2-enal has a molecular weight of 138.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethanimidoyl-4-iminopent-2-enal is sourced from PubChem (CID 142310890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).