N-(3-oxoprop-1-en-2-yl)acetamide

C5H7NO2 — CID 10630459

IUPACN-(3-oxoprop-1-en-2-yl)acetamide
SMILESC=C(C=O)NC(C)=O
InChIInChI=1S/C5H7NO2/c1-4(3-7)6-5(2)8/h3H,1H2,2H3,(H,6,8)
InChIKeyUDTCMDHLIJJLGT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.16
Rot. Bonds2

About N-(3-oxoprop-1-en-2-yl)acetamide

N-(3-oxoprop-1-en-2-yl)acetamide (PubChem CID 10630459) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is N-(3-oxoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxoprop-1-en-2-yl)acetamide
PubChem CID10630459
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC NameN-(3-oxoprop-1-en-2-yl)acetamide
SMILESC=C(C=O)NC(C)=O
InChIInChI=1S/C5H7NO2/c1-4(3-7)6-5(2)8/h3H,1H2,2H3,(H,6,8)
InChIKeyUDTCMDHLIJJLGT-UHFFFAOYSA-N
XLogP-0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-oxoprop-1-en-2-yl)acetamide
CID 92007806
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
CID 55289772
N-(3-oxoprop-1-en-2-yl)formamide
CID 17805103
N-[(Z)-1-oxobut-2-en-2-yl]acetamide
CID 89139550
2-(Prop-1-en-2-ylamino)prop-2-enal
CID 89343212
N-[(E)-3-oxo-1-sulfanylprop-1-en-2-yl]acetamide
CID 166810349
N-(3-oxoprop-1-en-2-yl)prop-2-enamide
CID 173055976
N-(1-oxobut-2-en-2-yl)acetamide
CID 173256146
CID 130713312
CID 130713312
N-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]acetamide
CID 133614804
N-[(E)-1-methoxy-3-oxoprop-1-en-2-yl]acetamide
CID 133622350

Frequently Asked Questions

What is the IUPAC name of N-(3-oxoprop-1-en-2-yl)acetamide?
The IUPAC name of N-(3-oxoprop-1-en-2-yl)acetamide (CID 10630459) is N-(3-oxoprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(3-oxoprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(3-oxoprop-1-en-2-yl)acetamide is C=C(C=O)NC(C)=O.
What is the InChIKey of N-(3-oxoprop-1-en-2-yl)acetamide?
The InChIKey is UDTCMDHLIJJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4(3-7)6-5(2)8/h3H,1H2,2H3,(H,6,8).
What are the key properties of N-(3-oxoprop-1-en-2-yl)acetamide?
N-(3-oxoprop-1-en-2-yl)acetamide has a molecular weight of 113.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 10630459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).