(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one

C9H12N2O — CID 173477629

IUPAC(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one
SMILESC/C1=N/C=C\CC(=O)N(C)C=C1
InChIInChI=1S/C9H12N2O/c1-8-5-7-11(2)9(12)4-3-6-10-8/h3,5-7H,4H2,1-2H3/b6-3-,7-5?,10-8-
InChIKeyFLBSAAVGMSSDDE-HTGOHIATSA-N
MW164.21 g/mol
LogP1.34
Rot. Bonds

About (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one

(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one (PubChem CID 173477629) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one.

Molecular Properties

Compound Name(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one
PubChem CID173477629
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one
SMILESC/C1=N/C=C\CC(=O)N(C)C=C1
InChIInChI=1S/C9H12N2O/c1-8-5-7-11(2)9(12)4-3-6-10-8/h3,5-7H,4H2,1-2H3/b6-3-,7-5?,10-8-
InChIKeyFLBSAAVGMSSDDE-HTGOHIATSA-N
XLogP1.34
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one?
The IUPAC name of (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one (CID 173477629) is (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one.
What is the SMILES notation for (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one?
The canonical SMILES for (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one is C/C1=N/C=C\CC(=O)N(C)C=C1.
What is the InChIKey of (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one?
The InChIKey is FLBSAAVGMSSDDE-HTGOHIATSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8-5-7-11(2)9(12)4-3-6-10-8/h3,5-7H,4H2,1-2H3/b6-3-,7-5?,10-8-.
What are the key properties of (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one?
(8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2,5-dimethyl-7H-1,5-diazonin-6-one is sourced from PubChem (CID 173477629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).