(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide

C8H12N2O — CID 123731073

IUPAC(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide
SMILES[H]/N=C(C=C)/C(=C\C)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-4-6(7(9)5-2)8(11)10-3/h4-5,9H,2H2,1,3H3,(H,10,11)/b6-4+,9-7+
InChIKeyCHJUCPIPLDIKTP-ADIUVMHLSA-N
MW152.20 g/mol
LogP0.88
Rot. Bonds3

About (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide

(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide (PubChem CID 123731073) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide
PubChem CID123731073
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide
SMILES[H]/N=C(C=C)/C(=C\C)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-4-6(7(9)5-2)8(11)10-3/h4-5,9H,2H2,1,3H3,(H,10,11)/b6-4+,9-7+
InChIKeyCHJUCPIPLDIKTP-ADIUVMHLSA-N
XLogP0.88
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.88
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-imino-N-methylpent-4-enamide?
The IUPAC name of (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide (CID 123731073) is (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide.
What is the SMILES notation for (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide?
The canonical SMILES for (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide is [H]/N=C(C=C)/C(=C\C)C(=O)NC.
What is the InChIKey of (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide?
The InChIKey is CHJUCPIPLDIKTP-ADIUVMHLSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-6(7(9)5-2)8(11)10-3/h4-5,9H,2H2,1,3H3,(H,10,11)/b6-4+,9-7+.
What are the key properties of (2E)-2-ethylidene-3-imino-N-methylpent-4-enamide?
(2E)-2-ethylidene-3-imino-N-methylpent-4-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.88, 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-imino-N-methylpent-4-enamide is sourced from PubChem (CID 123731073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).