N-(3-oxopropyl)propanamide

C6H11NO2 — CID 19774619

IUPACN-(3-oxopropyl)propanamide
SMILESCCC(=O)NCCC=O
InChIInChI=1S/C6H11NO2/c1-2-6(9)7-4-3-5-8/h5H,2-4H2,1H3,(H,7,9)
InChIKeyPSVPZRHKRRBGFX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds4

About N-(3-oxopropyl)propanamide

N-(3-oxopropyl)propanamide (PubChem CID 19774619) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(3-oxopropyl)propanamide.

Molecular Properties

Compound NameN-(3-oxopropyl)propanamide
PubChem CID19774619
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(3-oxopropyl)propanamide
SMILESCCC(=O)NCCC=O
InChIInChI=1S/C6H11NO2/c1-2-6(9)7-4-3-5-8/h5H,2-4H2,1H3,(H,7,9)
InChIKeyPSVPZRHKRRBGFX-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
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
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

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopropyl)propanamide?
The IUPAC name of N-(3-oxopropyl)propanamide (CID 19774619) is N-(3-oxopropyl)propanamide.
What is the SMILES notation for N-(3-oxopropyl)propanamide?
The canonical SMILES for N-(3-oxopropyl)propanamide is CCC(=O)NCCC=O.
What is the InChIKey of N-(3-oxopropyl)propanamide?
The InChIKey is PSVPZRHKRRBGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-6(9)7-4-3-5-8/h5H,2-4H2,1H3,(H,7,9).
What are the key properties of N-(3-oxopropyl)propanamide?
N-(3-oxopropyl)propanamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopropyl)propanamide is sourced from PubChem (CID 19774619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).