N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide

C9H13NO3 — CID 21278668

IUPACN,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CC(=O)CC(=O)C1
InChIInChI=1S/C9H13NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h6H,3-5H2,1-2H3
InChIKeyYAOSKNJFCWMXOB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.01
Rot. Bonds1

About N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide

N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide (PubChem CID 21278668) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
PubChem CID21278668
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CC(=O)CC(=O)C1
InChIInChI=1S/C9H13NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h6H,3-5H2,1-2H3
InChIKeyYAOSKNJFCWMXOB-UHFFFAOYSA-N
XLogP0.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.01
H-Bond Donors ≤ 50
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 N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide (CID 21278668) is N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide is CN(C)C(=O)C1CC(=O)CC(=O)C1.
What is the InChIKey of N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
The InChIKey is YAOSKNJFCWMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h6H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide?
N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,5-dioxocyclohexane-1-carboxamide is sourced from PubChem (CID 21278668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).