N-(2-oxopentyl)formamide

C6H11NO2 — CID 57147830

IUPACN-(2-oxopentyl)formamide
SMILESCCCC(=O)CNC=O
InChIInChI=1S/C6H11NO2/c1-2-3-6(9)4-7-5-8/h5H,2-4H2,1H3,(H,7,8)
InChIKeyZVEHCRKLOVGYOE-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds5

About N-(2-oxopentyl)formamide

N-(2-oxopentyl)formamide (PubChem CID 57147830) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-oxopentyl)formamide.

Molecular Properties

Compound NameN-(2-oxopentyl)formamide
PubChem CID57147830
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-oxopentyl)formamide
SMILESCCCC(=O)CNC=O
InChIInChI=1S/C6H11NO2/c1-2-3-6(9)4-7-5-8/h5H,2-4H2,1H3,(H,7,8)
InChIKeyZVEHCRKLOVGYOE-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze N-(2-oxopentyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopentyl)formamide?
The IUPAC name of N-(2-oxopentyl)formamide (CID 57147830) is N-(2-oxopentyl)formamide.
What is the SMILES notation for N-(2-oxopentyl)formamide?
The canonical SMILES for N-(2-oxopentyl)formamide is CCCC(=O)CNC=O.
What is the InChIKey of N-(2-oxopentyl)formamide?
The InChIKey is ZVEHCRKLOVGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-6(9)4-7-5-8/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(2-oxopentyl)formamide?
N-(2-oxopentyl)formamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopentyl)formamide is sourced from PubChem (CID 57147830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).