1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione

C8H14N2O3 — CID 143626624

IUPAC1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione
SMILESCC1(C)CC(=O)CC(=O)N(NO)C1
InChIInChI=1S/C8H14N2O3/c1-8(2)4-6(11)3-7(12)10(5-8)9-13/h9,13H,3-5H2,1-2H3
InChIKeyTZBHECCZKMJQHP-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.10
Rot. Bonds1

About 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione

1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione (PubChem CID 143626624) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione.

Molecular Properties

Compound Name1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione
PubChem CID143626624
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione
SMILESCC1(C)CC(=O)CC(=O)N(NO)C1
InChIInChI=1S/C8H14N2O3/c1-8(2)4-6(11)3-7(12)10(5-8)9-13/h9,13H,3-5H2,1-2H3
InChIKeyTZBHECCZKMJQHP-UHFFFAOYSA-N
XLogP0.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(5,5-dimethylcyclohexane-1,3-dione);sulfane
CID 68519610
1,6,6-trimethylpiperidine-2,4-dione
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ethane;1,4,4-trimethylpyrrolidin-2-one
CID 171091773
5,5-dimethylcyclohexane-1,3-dione;N-phenylacetamide
CID 67719434
3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide
CID 171818129
4,4-dimethyl-1-(1-sulfanylethyl)pyrrolidin-2-one
CID 167219015
N'-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]oxamide
CID 6033719
methyl 1,3,3-trimethyl-5-oxocyclohexane-1-carboxylate
CID 13394829
3-(aziridin-1-yl)-3,5,5-trimethylcyclohexan-1-one
CID 123695050
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
2-(3,3-dimethyl-5-oxocyclohexylidene)azaniumylacetate
CID 2246720
methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate
CID 122633668

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione?
The IUPAC name of 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione (CID 143626624) is 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione.
What is the SMILES notation for 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione?
The canonical SMILES for 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione is CC1(C)CC(=O)CC(=O)N(NO)C1.
What is the InChIKey of 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione?
The InChIKey is TZBHECCZKMJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2)4-6(11)3-7(12)10(5-8)9-13/h9,13H,3-5H2,1-2H3.
What are the key properties of 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione?
1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)-6,6-dimethylazepane-2,4-dione is sourced from PubChem (CID 143626624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).