N-(2-oxopropylidene)formamide

C4H5NO2 — CID 143179516

IUPACN-(2-oxopropylidene)formamide
SMILESCC(=O)/C=N/C=O
InChIInChI=1S/C4H5NO2/c1-4(7)2-5-3-6/h2-3H,1H3/b5-2+
InChIKeyNKRUGQMSSJYUBR-GORDUTHDSA-N
MW99.09 g/mol
LogP-0.20
Rot. Bonds2

About N-(2-oxopropylidene)formamide

N-(2-oxopropylidene)formamide (PubChem CID 143179516) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is N-(2-oxopropylidene)formamide.

Molecular Properties

Compound NameN-(2-oxopropylidene)formamide
PubChem CID143179516
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC NameN-(2-oxopropylidene)formamide
SMILESCC(=O)/C=N/C=O
InChIInChI=1S/C4H5NO2/c1-4(7)2-5-3-6/h2-3H,1H3/b5-2+
InChIKeyNKRUGQMSSJYUBR-GORDUTHDSA-N
XLogP-0.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(Methylimino)propan-2-one
CID 13614138
Acetaldehyde;1-methyliminopropan-2-one
CID 54167476
N-(2,3-dioxopentylidene)formamide
CID 90748581
methyl N-(2-oxopropylidene)carbamate
CID 163687623

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropylidene)formamide?
The IUPAC name of N-(2-oxopropylidene)formamide (CID 143179516) is N-(2-oxopropylidene)formamide.
What is the SMILES notation for N-(2-oxopropylidene)formamide?
The canonical SMILES for N-(2-oxopropylidene)formamide is CC(=O)/C=N/C=O.
What is the InChIKey of N-(2-oxopropylidene)formamide?
The InChIKey is NKRUGQMSSJYUBR-GORDUTHDSA-N. The full InChI is InChI=1S/C4H5NO2/c1-4(7)2-5-3-6/h2-3H,1H3/b5-2+.
What are the key properties of N-(2-oxopropylidene)formamide?
N-(2-oxopropylidene)formamide has a molecular weight of 99.09 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropylidene)formamide is sourced from PubChem (CID 143179516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).