N-[(E)-3-oxoprop-1-enyl]acetamide

C5H7NO2 — CID 12509734

IUPACN-[(E)-3-oxoprop-1-enyl]acetamide
SMILESCC(=O)N/C=C/C=O
InChIInChI=1S/C5H7NO2/c1-5(8)6-3-2-4-7/h2-4H,1H3,(H,6,8)/b3-2+
InChIKeyJDUQFBCQWDPPOQ-NSCUHMNNSA-N
MW113.12 g/mol
LogP-0.16
Rot. Bonds2

About N-[(E)-3-oxoprop-1-enyl]acetamide

N-[(E)-3-oxoprop-1-enyl]acetamide (PubChem CID 12509734) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is N-[(E)-3-oxoprop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-oxoprop-1-enyl]acetamide
PubChem CID12509734
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC NameN-[(E)-3-oxoprop-1-enyl]acetamide
SMILESCC(=O)N/C=C/C=O
InChIInChI=1S/C5H7NO2/c1-5(8)6-3-2-4-7/h2-4H,1H3,(H,6,8)/b3-2+
InChIKeyJDUQFBCQWDPPOQ-NSCUHMNNSA-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-[(Z)-prop-1-enyl]acetamide
CID 5325885
N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide
CID 143328534
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
silver (E)-2-acetamidoethenethiolate
CID 12620554
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
(E)-3-acetamido-N,N-dimethylprop-2-enamide
CID 131238300
acetic acid;(E)-but-2-enal
CID 174970374
(Z)-3-(2-methylhydrazinyl)prop-2-enal
CID 166135951
N-[(Z)-2-hydroxyprop-1-enyl]acetamide
CID 154518387
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]acetamide
CID 143215633
N-(2-phenylethenyl)acetamide
CID 54032077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxoprop-1-enyl]acetamide?
The IUPAC name of N-[(E)-3-oxoprop-1-enyl]acetamide (CID 12509734) is N-[(E)-3-oxoprop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-oxoprop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3-oxoprop-1-enyl]acetamide is CC(=O)N/C=C/C=O.
What is the InChIKey of N-[(E)-3-oxoprop-1-enyl]acetamide?
The InChIKey is JDUQFBCQWDPPOQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7NO2/c1-5(8)6-3-2-4-7/h2-4H,1H3,(H,6,8)/b3-2+.
What are the key properties of N-[(E)-3-oxoprop-1-enyl]acetamide?
N-[(E)-3-oxoprop-1-enyl]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-[(E)-3-oxoprop-1-enyl]acetamide is sourced from PubChem (CID 12509734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).