(E)-3-acetamido-N,N-dimethylprop-2-enamide

C7H12N2O2 — CID 131238300

IUPAC(E)-3-acetamido-N,N-dimethylprop-2-enamide
SMILESCC(=O)N/C=C/C(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-6(10)8-5-4-7(11)9(2)3/h4-5H,1-3H3,(H,8,10)/b5-4+
InChIKeyPPLWSESVMIHDPC-SNAWJCMRSA-N
MW156.19 g/mol
LogP-0.28
Rot. Bonds2

About (E)-3-acetamido-N,N-dimethylprop-2-enamide

(E)-3-acetamido-N,N-dimethylprop-2-enamide (PubChem CID 131238300) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (E)-3-acetamido-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-acetamido-N,N-dimethylprop-2-enamide
PubChem CID131238300
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(E)-3-acetamido-N,N-dimethylprop-2-enamide
SMILESCC(=O)N/C=C/C(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-6(10)8-5-4-7(11)9(2)3/h4-5H,1-3H3,(H,8,10)/b5-4+
InChIKeyPPLWSESVMIHDPC-SNAWJCMRSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-prop-1-enyl]acetamide
CID 5325885
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
silver (E)-2-acetamidoethenethiolate
CID 12620554
N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
CID 10739130
CID 10739130
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]acetamide
CID 143215633
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
CID 166914330
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928

Frequently Asked Questions

What is the IUPAC name of (E)-3-acetamido-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-acetamido-N,N-dimethylprop-2-enamide (CID 131238300) is (E)-3-acetamido-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-acetamido-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-acetamido-N,N-dimethylprop-2-enamide is CC(=O)N/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-3-acetamido-N,N-dimethylprop-2-enamide?
The InChIKey is PPLWSESVMIHDPC-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)8-5-4-7(11)9(2)3/h4-5H,1-3H3,(H,8,10)/b5-4+.
What are the key properties of (E)-3-acetamido-N,N-dimethylprop-2-enamide?
(E)-3-acetamido-N,N-dimethylprop-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-acetamido-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 131238300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).