(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid

C11H13NO2 — CID 163696208

IUPAC(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid
SMILESCC1=C\C(C)(C(=O)O)C=C/C=C/C=N\1
InChIInChI=1S/C11H13NO2/c1-9-8-11(2,10(13)14)6-4-3-5-7-12-9/h3-8H,1-2H3,(H,13,14)/b5-3+,6-4?,9-8+,12-7-
InChIKeyJXEKYGKZWVEIEI-RPKFJDMASA-N
MW191.23 g/mol
LogP2.18
Rot. Bonds1

About (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid

(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid (PubChem CID 163696208) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid.

Molecular Properties

Compound Name(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid
PubChem CID163696208
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid
SMILESCC1=C\C(C)(C(=O)O)C=C/C=C/C=N\1
InChIInChI=1S/C11H13NO2/c1-9-8-11(2,10(13)14)6-4-3-5-7-12-9/h3-8H,1-2H3,(H,13,14)/b5-3+,6-4?,9-8+,12-7-
InChIKeyJXEKYGKZWVEIEI-RPKFJDMASA-N
XLogP2.18
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid?
The IUPAC name of (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid (CID 163696208) is (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid.
What is the SMILES notation for (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid?
The canonical SMILES for (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid is CC1=C\C(C)(C(=O)O)C=C/C=C/C=N\1.
What is the InChIKey of (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid?
The InChIKey is JXEKYGKZWVEIEI-RPKFJDMASA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-8-11(2,10(13)14)6-4-3-5-7-12-9/h3-8H,1-2H3,(H,13,14)/b5-3+,6-4?,9-8+,12-7-.
What are the key properties of (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid?
(2E,7Z)-2,4-dimethylazonine-4-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-2,4-dimethylazonine-4-carboxylic acid is sourced from PubChem (CID 163696208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).