N-(2-methyl-3-oxopropyl)acetamide

C6H11NO2 — CID 11367000

IUPACN-(2-methyl-3-oxopropyl)acetamide
SMILESCC(=O)NCC(C)C=O
InChIInChI=1S/C6H11NO2/c1-5(4-8)3-7-6(2)9/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyOPXQPMSORHSYMU-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds3

About N-(2-methyl-3-oxopropyl)acetamide

N-(2-methyl-3-oxopropyl)acetamide (PubChem CID 11367000) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-methyl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxopropyl)acetamide
PubChem CID11367000
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-methyl-3-oxopropyl)acetamide
SMILESCC(=O)NCC(C)C=O
InChIInChI=1S/C6H11NO2/c1-5(4-8)3-7-6(2)9/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyOPXQPMSORHSYMU-UHFFFAOYSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxopropyl)acetamide?
The IUPAC name of N-(2-methyl-3-oxopropyl)acetamide (CID 11367000) is N-(2-methyl-3-oxopropyl)acetamide.
What is the SMILES notation for N-(2-methyl-3-oxopropyl)acetamide?
The canonical SMILES for N-(2-methyl-3-oxopropyl)acetamide is CC(=O)NCC(C)C=O.
What is the InChIKey of N-(2-methyl-3-oxopropyl)acetamide?
The InChIKey is OPXQPMSORHSYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(4-8)3-7-6(2)9/h4-5H,3H2,1-2H3,(H,7,9).
What are the key properties of N-(2-methyl-3-oxopropyl)acetamide?
N-(2-methyl-3-oxopropyl)acetamide has a molecular weight of 129.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxopropyl)acetamide is sourced from PubChem (CID 11367000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).