(E)-2-ethyl-4-methyliminobut-2-enamide

C7H12N2O — CID 142051160

IUPAC(E)-2-ethyl-4-methyliminobut-2-enamide
SMILESCC/C(=C\C=N\C)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(7(8)10)4-5-9-2/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4+,9-5+
InChIKeyYKUOFFMZDZRKNK-REZHQCRGSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds3

About (E)-2-ethyl-4-methyliminobut-2-enamide

(E)-2-ethyl-4-methyliminobut-2-enamide (PubChem CID 142051160) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-2-ethyl-4-methyliminobut-2-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-4-methyliminobut-2-enamide
PubChem CID142051160
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-2-ethyl-4-methyliminobut-2-enamide
SMILESCC/C(=C\C=N\C)C(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(7(8)10)4-5-9-2/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4+,9-5+
InChIKeyYKUOFFMZDZRKNK-REZHQCRGSA-N
XLogP0.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
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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Related Compounds

3-Ethylazepin-2-one
CID 23218762
2,5-Dihydropyridine-3-carboxamide
CID 57050462
N-methyl-3H-pyridin-1-ium-4-carboxamide
CID 57064204
2,5-Dihydropyridine-4-carboxamide
CID 57070802
3H-pyridin-1-ium-4-carboxamide
CID 57095584
3H-pyridin-1-ium-5-carboxamide
CID 57163846
5-methyl-2H-pyrrole-4-carboxamide
CID 58369287
5,5-Dimethyl-6-oxopyridine-3-carboxamide
CID 66728116
3-Prop-2-enylpyrrol-2-one
CID 66897497
1-Methyl-2,3-dihydropyridin-1-ium-4-carboxamide
CID 69022636
2,3-Dihydropyridine-5-carboxamide
CID 69027120
1-Azoniacyclohepta-1,3,5,7-tetraene-4-carboxamide
CID 87880044

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-methyliminobut-2-enamide?
The IUPAC name of (E)-2-ethyl-4-methyliminobut-2-enamide (CID 142051160) is (E)-2-ethyl-4-methyliminobut-2-enamide.
What is the SMILES notation for (E)-2-ethyl-4-methyliminobut-2-enamide?
The canonical SMILES for (E)-2-ethyl-4-methyliminobut-2-enamide is CC/C(=C\C=N\C)C(N)=O.
What is the InChIKey of (E)-2-ethyl-4-methyliminobut-2-enamide?
The InChIKey is YKUOFFMZDZRKNK-REZHQCRGSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(7(8)10)4-5-9-2/h4-5H,3H2,1-2H3,(H2,8,10)/b6-4+,9-5+.
What are the key properties of (E)-2-ethyl-4-methyliminobut-2-enamide?
(E)-2-ethyl-4-methyliminobut-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-methyliminobut-2-enamide is sourced from PubChem (CID 142051160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).