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

C7H13NO2 — CID 58640232

IUPACN-(1-oxopentan-2-yl)acetamide
SMILESCCCC(C=O)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-3-4-7(5-9)8-6(2)10/h5,7H,3-4H2,1-2H3,(H,8,10)
InChIKeyZDPSXCIYGRIZIG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds4

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

N-(1-oxopentan-2-yl)acetamide (PubChem CID 58640232) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-oxopentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxopentan-2-yl)acetamide
PubChem CID58640232
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(1-oxopentan-2-yl)acetamide
SMILESCCCC(C=O)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-3-4-7(5-9)8-6(2)10/h5,7H,3-4H2,1-2H3,(H,8,10)
InChIKeyZDPSXCIYGRIZIG-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.49
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-(1-oxopentan-2-yl)acetamide?
The IUPAC name of N-(1-oxopentan-2-yl)acetamide (CID 58640232) is N-(1-oxopentan-2-yl)acetamide.
What is the SMILES notation for N-(1-oxopentan-2-yl)acetamide?
The canonical SMILES for N-(1-oxopentan-2-yl)acetamide is CCCC(C=O)NC(C)=O.
What is the InChIKey of N-(1-oxopentan-2-yl)acetamide?
The InChIKey is ZDPSXCIYGRIZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-7(5-9)8-6(2)10/h5,7H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(1-oxopentan-2-yl)acetamide?
N-(1-oxopentan-2-yl)acetamide has a molecular weight of 143.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopentan-2-yl)acetamide is sourced from PubChem (CID 58640232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).