(2E)-2-ethylidene-3-iminopent-4-enamide

C7H10N2O — CID 123362408

IUPAC(2E)-2-ethylidene-3-iminopent-4-enamide
SMILES[H]/N=C(C=C)/C(=C\C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5(7(9)10)6(8)4-2/h3-4,8H,2H2,1H3,(H2,9,10)/b5-3+,8-6+
InChIKeySAEZYTBUDIVNQT-QFXXITGJSA-N
MW138.17 g/mol
LogP0.62
Rot. Bonds3

About (2E)-2-ethylidene-3-iminopent-4-enamide

(2E)-2-ethylidene-3-iminopent-4-enamide (PubChem CID 123362408) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-iminopent-4-enamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-iminopent-4-enamide
PubChem CID123362408
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E)-2-ethylidene-3-iminopent-4-enamide
SMILES[H]/N=C(C=C)/C(=C\C)C(N)=O
InChIInChI=1S/C7H10N2O/c1-3-5(7(9)10)6(8)4-2/h3-4,8H,2H2,1H3,(H2,9,10)/b5-3+,8-6+
InChIKeySAEZYTBUDIVNQT-QFXXITGJSA-N
XLogP0.62
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-2-ethylidene-3-iminopent-4-enamide?
The IUPAC name of (2E)-2-ethylidene-3-iminopent-4-enamide (CID 123362408) is (2E)-2-ethylidene-3-iminopent-4-enamide.
What is the SMILES notation for (2E)-2-ethylidene-3-iminopent-4-enamide?
The canonical SMILES for (2E)-2-ethylidene-3-iminopent-4-enamide is [H]/N=C(C=C)/C(=C\C)C(N)=O.
What is the InChIKey of (2E)-2-ethylidene-3-iminopent-4-enamide?
The InChIKey is SAEZYTBUDIVNQT-QFXXITGJSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-5(7(9)10)6(8)4-2/h3-4,8H,2H2,1H3,(H2,9,10)/b5-3+,8-6+.
What are the key properties of (2E)-2-ethylidene-3-iminopent-4-enamide?
(2E)-2-ethylidene-3-iminopent-4-enamide has a molecular weight of 138.17 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-iminopent-4-enamide is sourced from PubChem (CID 123362408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).