N-carbamoyl-N-(2-oxopropyl)formamide

C5H8N2O3 — CID 22614022

IUPACN-carbamoyl-N-(2-oxopropyl)formamide
SMILESCC(=O)CN(C=O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-4(9)2-7(3-8)5(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeySJTMLXRLXOYBLA-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.89
Rot. Bonds3

About N-carbamoyl-N-(2-oxopropyl)formamide

N-carbamoyl-N-(2-oxopropyl)formamide (PubChem CID 22614022) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is N-carbamoyl-N-(2-oxopropyl)formamide.

Molecular Properties

Compound NameN-carbamoyl-N-(2-oxopropyl)formamide
PubChem CID22614022
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC NameN-carbamoyl-N-(2-oxopropyl)formamide
SMILESCC(=O)CN(C=O)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-4(9)2-7(3-8)5(6)10/h3H,2H2,1H3,(H2,6,10)
InChIKeySJTMLXRLXOYBLA-UHFFFAOYSA-N
XLogP-0.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-(2-oxopropyl)formamide?
The IUPAC name of N-carbamoyl-N-(2-oxopropyl)formamide (CID 22614022) is N-carbamoyl-N-(2-oxopropyl)formamide.
What is the SMILES notation for N-carbamoyl-N-(2-oxopropyl)formamide?
The canonical SMILES for N-carbamoyl-N-(2-oxopropyl)formamide is CC(=O)CN(C=O)C(N)=O.
What is the InChIKey of N-carbamoyl-N-(2-oxopropyl)formamide?
The InChIKey is SJTMLXRLXOYBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-4(9)2-7(3-8)5(6)10/h3H,2H2,1H3,(H2,6,10).
What are the key properties of N-carbamoyl-N-(2-oxopropyl)formamide?
N-carbamoyl-N-(2-oxopropyl)formamide has a molecular weight of 144.13 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-(2-oxopropyl)formamide is sourced from PubChem (CID 22614022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).