N-(1-oxopropan-2-yl)acetamide

C5H9NO2 — CID 12749134

IUPACN-(1-oxopropan-2-yl)acetamide
SMILESCC(=O)NC(C)C=O
InChIInChI=1S/C5H9NO2/c1-4(3-7)6-5(2)8/h3-4H,1-2H3,(H,6,8)
InChIKeyHVEBGTPGPHIUJN-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.29
Rot. Bonds2

About N-(1-oxopropan-2-yl)acetamide

N-(1-oxopropan-2-yl)acetamide (PubChem CID 12749134) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxopropan-2-yl)acetamide
PubChem CID12749134
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(1-oxopropan-2-yl)acetamide
SMILESCC(=O)NC(C)C=O
InChIInChI=1S/C5H9NO2/c1-4(3-7)6-5(2)8/h3-4H,1-2H3,(H,6,8)
InChIKeyHVEBGTPGPHIUJN-UHFFFAOYSA-N
XLogP-0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

3-Acetamidopropanal
CID 5460495
N-(2-Oxoethyl)acetamide
CID 537906
3-Acetamidobutanal
CID 21393674
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 4369342
N-[(2S)-1-oxopropan-2-yl]acetamide
CID 22802634
2,2,2-trifluoro-N-[(2S)-1-oxopropan-2-yl]acetamide
CID 49837408
2,2,2-trifluoro-N-(1-oxopropan-2-yl)acetamide
CID 75300381
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 5478843
(2S)-2-amino-N-(2-oxoethyl)propanamide
CID 18642412
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
N-[(2R)-1-oxopropan-2-yl]acetamide
CID 11147694
Acetamido-malonaldehyde
CID 12870105

Frequently Asked Questions

What is the IUPAC name of N-(1-oxopropan-2-yl)acetamide?
The IUPAC name of N-(1-oxopropan-2-yl)acetamide (CID 12749134) is N-(1-oxopropan-2-yl)acetamide.
What is the SMILES notation for N-(1-oxopropan-2-yl)acetamide?
The canonical SMILES for N-(1-oxopropan-2-yl)acetamide is CC(=O)NC(C)C=O.
What is the InChIKey of N-(1-oxopropan-2-yl)acetamide?
The InChIKey is HVEBGTPGPHIUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(3-7)6-5(2)8/h3-4H,1-2H3,(H,6,8).
What are the key properties of N-(1-oxopropan-2-yl)acetamide?
N-(1-oxopropan-2-yl)acetamide has a molecular weight of 115.13 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 12749134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).