N-(2-oxopropoxy)formamide

C4H7NO3 — CID 174709773

IUPACN-(2-oxopropoxy)formamide
SMILESCC(=O)CONC=O
InChIInChI=1S/C4H7NO3/c1-4(7)2-8-5-3-6/h3H,2H2,1H3,(H,5,6)
InChIKeyLRFPQTXXUYEACA-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.75
Rot. Bonds4

About N-(2-oxopropoxy)formamide

N-(2-oxopropoxy)formamide (PubChem CID 174709773) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is N-(2-oxopropoxy)formamide.

Molecular Properties

Compound NameN-(2-oxopropoxy)formamide
PubChem CID174709773
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-(2-oxopropoxy)formamide
SMILESCC(=O)CONC=O
InChIInChI=1S/C4H7NO3/c1-4(7)2-8-5-3-6/h3H,2H2,1H3,(H,5,6)
InChIKeyLRFPQTXXUYEACA-UHFFFAOYSA-N
XLogP-0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-1-enylamino)oxypropan-2-one
CID 123256071
N-(3-methyl-2-oxobutoxy)formamide
CID 166112488
2-oxopropyl formate
CID 10920454
ethane;N-(2-oxopropoxy)prop-2-enamide
CID 144683227
N-(2-hydroxyethoxy)formamide
CID 57258279
1-(2-methylprop-1-enoxy)propan-2-one
CID 12741667
1-(2-methylpropylamino)oxypropan-2-one
CID 23150488
N-(2-oxoethoxy)formamide
CID 143833980
2-formamidooxyethyl(trimethyl)azanium
CID 90374698
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
1-(methylideneamino)oxypropan-2-one
CID 142495532
1-aminooxypropan-2-one
CID 20700160

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropoxy)formamide?
The IUPAC name of N-(2-oxopropoxy)formamide (CID 174709773) is N-(2-oxopropoxy)formamide.
What is the SMILES notation for N-(2-oxopropoxy)formamide?
The canonical SMILES for N-(2-oxopropoxy)formamide is CC(=O)CONC=O.
What is the InChIKey of N-(2-oxopropoxy)formamide?
The InChIKey is LRFPQTXXUYEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-4(7)2-8-5-3-6/h3H,2H2,1H3,(H,5,6).
What are the key properties of N-(2-oxopropoxy)formamide?
N-(2-oxopropoxy)formamide has a molecular weight of 117.10 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropoxy)formamide is sourced from PubChem (CID 174709773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).