N-(4-oxopentyl)acetamide

C7H13NO2 — CID 21389567

IUPACN-(4-oxopentyl)acetamide
SMILESCC(=O)CCCNC(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)4-3-5-8-7(2)10/h3-5H2,1-2H3,(H,8,10)
InChIKeyHJSYCVYFTIIOPM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds4

About N-(4-oxopentyl)acetamide

N-(4-oxopentyl)acetamide (PubChem CID 21389567) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(4-oxopentyl)acetamide.

Molecular Properties

Compound NameN-(4-oxopentyl)acetamide
PubChem CID21389567
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(4-oxopentyl)acetamide
SMILESCC(=O)CCCNC(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)4-3-5-8-7(2)10/h3-5H2,1-2H3,(H,8,10)
InChIKeyHJSYCVYFTIIOPM-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxopentyl)acetamide?
The IUPAC name of N-(4-oxopentyl)acetamide (CID 21389567) is N-(4-oxopentyl)acetamide.
What is the SMILES notation for N-(4-oxopentyl)acetamide?
The canonical SMILES for N-(4-oxopentyl)acetamide is CC(=O)CCCNC(C)=O.
What is the InChIKey of N-(4-oxopentyl)acetamide?
The InChIKey is HJSYCVYFTIIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)4-3-5-8-7(2)10/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(4-oxopentyl)acetamide?
N-(4-oxopentyl)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-(4-oxopentyl)acetamide is sourced from PubChem (CID 21389567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).