N,5-dioxohexanamide

C6H9NO3 — CID 146976894

IUPACN,5-dioxohexanamide
SMILESCC(=O)CCCC(=O)N=O
InChIInChI=1S/C6H9NO3/c1-5(8)3-2-4-6(9)7-10/h2-4H2,1H3
InChIKeyANNSTFZUJUYDSO-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.04
Rot. Bonds4

About N,5-dioxohexanamide

N,5-dioxohexanamide (PubChem CID 146976894) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is N,5-dioxohexanamide.

Molecular Properties

Compound NameN,5-dioxohexanamide
PubChem CID146976894
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC NameN,5-dioxohexanamide
SMILESCC(=O)CCCC(=O)N=O
InChIInChI=1S/C6H9NO3/c1-5(8)3-2-4-6(9)7-10/h2-4H2,1H3
InChIKeyANNSTFZUJUYDSO-UHFFFAOYSA-N
XLogP1.04
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dioxohexanamide?
The IUPAC name of N,5-dioxohexanamide (CID 146976894) is N,5-dioxohexanamide.
What is the SMILES notation for N,5-dioxohexanamide?
The canonical SMILES for N,5-dioxohexanamide is CC(=O)CCCC(=O)N=O.
What is the InChIKey of N,5-dioxohexanamide?
The InChIKey is ANNSTFZUJUYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-5(8)3-2-4-6(9)7-10/h2-4H2,1H3.
What are the key properties of N,5-dioxohexanamide?
N,5-dioxohexanamide has a molecular weight of 143.14 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dioxohexanamide is sourced from PubChem (CID 146976894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).