3-methoxy-N-oxopropanamide

C4H7NO3 — CID 89105235

IUPAC3-methoxy-N-oxopropanamide
SMILESCOCCC(=O)N=O
InChIInChI=1S/C4H7NO3/c1-8-3-2-4(6)5-7/h2-3H2,1H3
InChIKeyFQHCFROWLOOHIB-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.32
Rot. Bonds3

About 3-methoxy-N-oxopropanamide

3-methoxy-N-oxopropanamide (PubChem CID 89105235) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 3-methoxy-N-oxopropanamide.

Molecular Properties

Compound Name3-methoxy-N-oxopropanamide
PubChem CID89105235
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3-methoxy-N-oxopropanamide
SMILESCOCCC(=O)N=O
InChIInChI=1S/C4H7NO3/c1-8-3-2-4(6)5-7/h2-3H2,1H3
InChIKeyFQHCFROWLOOHIB-UHFFFAOYSA-N
XLogP0.32
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-hydroxy-5-methoxy-2-nitrosopent-2-enoate
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3-methoxy-N,N-dimethylpropanamide
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silyl 3-methoxypropanoate
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N,5-dioxohexanamide
CID 146976894
methyl 4-methoxybutanoate
CID 542317
ethane;3-methoxy-N-methylpropanamide
CID 178014406
1,1,1-trifluoro-4-methoxybutan-2-one
CID 62962965
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
disodium;1,2-dimethoxyethane;carbonate
CID 86669059

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-oxopropanamide?
The IUPAC name of 3-methoxy-N-oxopropanamide (CID 89105235) is 3-methoxy-N-oxopropanamide.
What is the SMILES notation for 3-methoxy-N-oxopropanamide?
The canonical SMILES for 3-methoxy-N-oxopropanamide is COCCC(=O)N=O.
What is the InChIKey of 3-methoxy-N-oxopropanamide?
The InChIKey is FQHCFROWLOOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-8-3-2-4(6)5-7/h2-3H2,1H3.
What are the key properties of 3-methoxy-N-oxopropanamide?
3-methoxy-N-oxopropanamide has a molecular weight of 117.10 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-oxopropanamide is sourced from PubChem (CID 89105235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).