(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide

C9H14N2O — CID 145305765

IUPAC(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide
SMILESC=C(C)/N=C/C=C(\C)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-5-8(3)9(12)10-4/h5-6H,1H2,2-4H3,(H,10,12)/b8-5+,11-6+
InChIKeyHNJVQCAMPASCHH-XSIURBDDSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds3

About (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide

(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide (PubChem CID 145305765) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide
PubChem CID145305765
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide
SMILESC=C(C)/N=C/C=C(\C)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-7(2)11-6-5-8(3)9(12)10-4/h5-6H,1H2,2-4H3,(H,10,12)/b8-5+,11-6+
InChIKeyHNJVQCAMPASCHH-XSIURBDDSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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

(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide;3-methyl-3-[2-methyl-4-(2-methylpyrimidin-5-yl)phenyl]butan-2-one
CID 145305764
butane;(2E)-N,2-dimethylpenta-2,4-dienamide
CID 143504833
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
CID 162732474
(Z)-3-acetamido-N,2-dimethylprop-2-enamide
CID 146549969
N,N'-di((113C)methyl)oxamide
CID 169438737
(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide
CID 140901485
(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide
CID 142896016
2-(fluoromethyl)-N-methylprop-2-enamide
CID 90023989
N,2-dimethylundec-2-enamide
CID 4562078
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
N-methyl-2-methylidenepent-3-enamide
CID 123693857

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide (CID 145305765) is (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide is C=C(C)/N=C/C=C(\C)C(=O)NC.
What is the InChIKey of (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide?
The InChIKey is HNJVQCAMPASCHH-XSIURBDDSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)11-6-5-8(3)9(12)10-4/h5-6H,1H2,2-4H3,(H,10,12)/b8-5+,11-6+.
What are the key properties of (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide?
(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide is sourced from PubChem (CID 145305765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).