(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione

C10H11NO2 — CID 89016434

IUPAC(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione
SMILESC/C1=C\C=C/C=C(\C)C(=O)C(=O)N1
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-8(2)11-10(13)9(7)12/h3-6H,1-2H3,(H,11,13)/b4-3-,7-5+,8-6+
InChIKeyJMVUWTNXZPCFPO-MBAZBMQQSA-N
MW177.20 g/mol
LogP1.09
Rot. Bonds

About (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione

(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione (PubChem CID 89016434) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione.

Molecular Properties

Compound Name(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione
PubChem CID89016434
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione
SMILESC/C1=C\C=C/C=C(\C)C(=O)C(=O)N1
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-8(2)11-10(13)9(7)12/h3-6H,1-2H3,(H,11,13)/b4-3-,7-5+,8-6+
InChIKeyJMVUWTNXZPCFPO-MBAZBMQQSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione?
The IUPAC name of (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione (CID 89016434) is (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione.
What is the SMILES notation for (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione?
The canonical SMILES for (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione is C/C1=C\C=C/C=C(\C)C(=O)C(=O)N1.
What is the InChIKey of (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione?
The InChIKey is JMVUWTNXZPCFPO-MBAZBMQQSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-5-3-4-6-8(2)11-10(13)9(7)12/h3-6H,1-2H3,(H,11,13)/b4-3-,7-5+,8-6+.
What are the key properties of (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione?
(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione has a molecular weight of 177.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione is sourced from PubChem (CID 89016434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).