N-ethenylacetamide;prop-2-enoic acid

C7H11NO3 — CID 87974681

IUPACN-ethenylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CNC(C)=O
InChIInChI=1S/C4H7NO.C3H4O2/c1-3-5-4(2)6;1-2-3(4)5/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyNCFAAXNAPQCDBL-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.52
Rot. Bonds2

About N-ethenylacetamide;prop-2-enoic acid

N-ethenylacetamide;prop-2-enoic acid (PubChem CID 87974681) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-ethenylacetamide;prop-2-enoic acid.

Molecular Properties

Compound NameN-ethenylacetamide;prop-2-enoic acid
PubChem CID87974681
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-ethenylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CNC(C)=O
InChIInChI=1S/C4H7NO.C3H4O2/c1-3-5-4(2)6;1-2-3(4)5/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyNCFAAXNAPQCDBL-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenylformamide;prop-2-enamide;prop-2-enoic acid
CID 44147444
CID 170852351
CID 170852351
(E)-3-(methylamino)prop-2-enoic acid
CID 10192559
3-(Prop-2-enoylamino)prop-2-enoic acid
CID 53958477
2-Methyl-3-(prop-2-enoylamino)prop-2-enoic acid
CID 54284012
N-ethenylformamide;prop-2-enoic acid
CID 129031284
(2Z,4E)-5-acetamidopenta-2,4-dienoic acid
CID 101397621
(Z)-3-(butanoylamino)prop-2-enoic acid
CID 131244415
(E)-3-(2-fluoroethylamino)prop-2-enoic acid
CID 130504682
3-Acetamidoprop-2-enoic acid
CID 246752
(Z)-3-acetamidoprop-2-enoic acid
CID 5356531
3-Acetamidoacrylic acid
CID 5873238

Frequently Asked Questions

What is the IUPAC name of N-ethenylacetamide;prop-2-enoic acid?
The IUPAC name of N-ethenylacetamide;prop-2-enoic acid (CID 87974681) is N-ethenylacetamide;prop-2-enoic acid.
What is the SMILES notation for N-ethenylacetamide;prop-2-enoic acid?
The canonical SMILES for N-ethenylacetamide;prop-2-enoic acid is C=CC(=O)O.C=CNC(C)=O.
What is the InChIKey of N-ethenylacetamide;prop-2-enoic acid?
The InChIKey is NCFAAXNAPQCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H4O2/c1-3-5-4(2)6;1-2-3(4)5/h3H,1H2,2H3,(H,5,6);2H,1H2,(H,4,5).
What are the key properties of N-ethenylacetamide;prop-2-enoic acid?
N-ethenylacetamide;prop-2-enoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylacetamide;prop-2-enoic acid is sourced from PubChem (CID 87974681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).