(E)-N-ethyl-4-imino-N-methylpent-2-enamide

C8H14N2O — CID 155037532

IUPAC(E)-N-ethyl-4-imino-N-methylpent-2-enamide
SMILES[H]/N=C(C)/C=C/C(=O)N(C)CC
InChIInChI=1S/C8H14N2O/c1-4-10(3)8(11)6-5-7(2)9/h5-6,9H,4H2,1-3H3/b6-5+,9-7+
InChIKeyZVFHBKCCLSIWSY-SBIWHPGTSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds3

About (E)-N-ethyl-4-imino-N-methylpent-2-enamide

(E)-N-ethyl-4-imino-N-methylpent-2-enamide (PubChem CID 155037532) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-N-ethyl-4-imino-N-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-imino-N-methylpent-2-enamide
PubChem CID155037532
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(E)-N-ethyl-4-imino-N-methylpent-2-enamide
SMILES[H]/N=C(C)/C=C/C(=O)N(C)CC
InChIInChI=1S/C8H14N2O/c1-4-10(3)8(11)6-5-7(2)9/h5-6,9H,4H2,1-3H3/b6-5+,9-7+
InChIKeyZVFHBKCCLSIWSY-SBIWHPGTSA-N
XLogP1.06
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 (E)-N-ethyl-4-imino-N-methylpent-2-enamide?
The IUPAC name of (E)-N-ethyl-4-imino-N-methylpent-2-enamide (CID 155037532) is (E)-N-ethyl-4-imino-N-methylpent-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-imino-N-methylpent-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-imino-N-methylpent-2-enamide is [H]/N=C(C)/C=C/C(=O)N(C)CC.
What is the InChIKey of (E)-N-ethyl-4-imino-N-methylpent-2-enamide?
The InChIKey is ZVFHBKCCLSIWSY-SBIWHPGTSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-10(3)8(11)6-5-7(2)9/h5-6,9H,4H2,1-3H3/b6-5+,9-7+.
What are the key properties of (E)-N-ethyl-4-imino-N-methylpent-2-enamide?
(E)-N-ethyl-4-imino-N-methylpent-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-imino-N-methylpent-2-enamide is sourced from PubChem (CID 155037532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).