N-(3-oxopropyl)acetamide

C5H9NO2 — CID 5460495

IUPACN-(3-oxopropyl)acetamide
SMILESCC(=O)NCCC=O
InChIInChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyARJPPNFIEQKVBB-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.29
Rot. Bonds3

About N-(3-oxopropyl)acetamide

N-(3-oxopropyl)acetamide (PubChem CID 5460495) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(3-oxopropyl)acetamide
PubChem CID5460495
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(3-oxopropyl)acetamide
SMILESCC(=O)NCCC=O
InChIInChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyARJPPNFIEQKVBB-UHFFFAOYSA-N
XLogP-0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.29
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

4-Acetamidobutanal
CID 440850
3-Acetamidobutanal
CID 21393674
N-[(2S)-1-oxopropan-2-yl]acetamide
CID 22802634
3-Methyl-N-(3-oxopropyl)butanamide
CID 22960330
N-methoxycarbonyl-3-aminopropanal
CID 10975513
N-[(2R)-1-oxopropan-2-yl]acetamide
CID 11147694
3-Acetamido-2-methylpropanal
CID 11367000
Acetaminopropanal
CID 12749134
N-methyl-3-oxopropanamide
CID 17961316
2-Azapentan-1,5-dion
CID 18314545
2-bromo-N-(3-oxopropyl)acetamide
CID 18921293
N-acetyl-aminobutanal
CID 21340825

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)acetamide?
The IUPAC name of N-(3-oxopropyl)acetamide (CID 5460495) is N-(3-oxopropyl)acetamide.
What is the SMILES notation for N-(3-oxopropyl)acetamide?
The canonical SMILES for N-(3-oxopropyl)acetamide is CC(=O)NCCC=O.
What is the InChIKey of N-(3-oxopropyl)acetamide?
The InChIKey is ARJPPNFIEQKVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8).
What are the key properties of N-(3-oxopropyl)acetamide?
N-(3-oxopropyl)acetamide has a molecular weight of 115.13 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)acetamide is sourced from PubChem (CID 5460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).