3-oxo-N-(2-oxocyclohexyl)pentanamide

C11H17NO3 — CID 155543620

IUPAC3-oxo-N-(2-oxocyclohexyl)pentanamide
SMILESCCC(=O)CC(=O)NC1CCCCC1=O
InChIInChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15)
InChIKeyQQKGNWGJDKDESC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds4

About 3-oxo-N-(2-oxocyclohexyl)pentanamide

3-oxo-N-(2-oxocyclohexyl)pentanamide (PubChem CID 155543620) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-oxo-N-(2-oxocyclohexyl)pentanamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxocyclohexyl)pentanamide
PubChem CID155543620
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-oxo-N-(2-oxocyclohexyl)pentanamide
SMILESCCC(=O)CC(=O)NC1CCCCC1=O
InChIInChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15)
InChIKeyQQKGNWGJDKDESC-UHFFFAOYSA-N
XLogP0.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxocyclohexyl)pentanamide?
The IUPAC name of 3-oxo-N-(2-oxocyclohexyl)pentanamide (CID 155543620) is 3-oxo-N-(2-oxocyclohexyl)pentanamide.
What is the SMILES notation for 3-oxo-N-(2-oxocyclohexyl)pentanamide?
The canonical SMILES for 3-oxo-N-(2-oxocyclohexyl)pentanamide is CCC(=O)CC(=O)NC1CCCCC1=O.
What is the InChIKey of 3-oxo-N-(2-oxocyclohexyl)pentanamide?
The InChIKey is QQKGNWGJDKDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8(13)7-11(15)12-9-5-3-4-6-10(9)14/h9H,2-7H2,1H3,(H,12,15).
What are the key properties of 3-oxo-N-(2-oxocyclohexyl)pentanamide?
3-oxo-N-(2-oxocyclohexyl)pentanamide has a molecular weight of 211.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxocyclohexyl)pentanamide is sourced from PubChem (CID 155543620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).