N-(3-oxopropyl)formamide

C4H7NO2 — CID 18314545

IUPACN-(3-oxopropyl)formamide
SMILESO=CCCNC=O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h3-4H,1-2H2,(H,5,7)
InChIKeyYEFUXNMUFHIRJS-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.68
Rot. Bonds4

About N-(3-oxopropyl)formamide

N-(3-oxopropyl)formamide (PubChem CID 18314545) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-(3-oxopropyl)formamide.

Molecular Properties

Compound NameN-(3-oxopropyl)formamide
PubChem CID18314545
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-(3-oxopropyl)formamide
SMILESO=CCCNC=O
InChIInChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h3-4H,1-2H2,(H,5,7)
InChIKeyYEFUXNMUFHIRJS-UHFFFAOYSA-N
XLogP-0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamidopropanal
CID 5460495
N-methoxycarbonyl-3-aminopropanal
CID 10975513
3-Acetamido-2-methylpropanal
CID 11367000
N-methyl-3-oxopropanamide
CID 17961316
Bis-oxopropylamine
CID 54044358
N-(3-oxopropyl)trifluoroacetamide
CID 14183813
N-(3-oxopropyl)carbamoyl fluoride
CID 118017278
2-fluoro-N-(3-oxopropyl)acetamide
CID 174769410
3-amino-N-(3-oxopropyl)propanamide
CID 18328682
3-Oxopropylcarbamic acid
CID 18930011
3-Oxopropylurea
CID 19690463
N-(3-oxopropyl)propanamide
CID 19774619

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)formamide?
The IUPAC name of N-(3-oxopropyl)formamide (CID 18314545) is N-(3-oxopropyl)formamide.
What is the SMILES notation for N-(3-oxopropyl)formamide?
The canonical SMILES for N-(3-oxopropyl)formamide is O=CCCNC=O.
What is the InChIKey of N-(3-oxopropyl)formamide?
The InChIKey is YEFUXNMUFHIRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h3-4H,1-2H2,(H,5,7).
What are the key properties of N-(3-oxopropyl)formamide?
N-(3-oxopropyl)formamide has a molecular weight of 101.10 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)formamide is sourced from PubChem (CID 18314545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).