2-aminoazulene-1-carboxylic acid

C11H9NO2 — CID 139642161

IUPAC2-aminoazulene-1-carboxylic acid
SMILESNc1cc2cccccc-2c1C(=O)O
InChIInChI=1S/C11H9NO2/c12-9-6-7-4-2-1-3-5-8(7)10(9)11(13)14/h1-6H,12H2,(H,13,14)
InChIKeyIFKZQSDZAOECBW-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.07
Rot. Bonds1

About 2-aminoazulene-1-carboxylic acid

2-aminoazulene-1-carboxylic acid (PubChem CID 139642161) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-aminoazulene-1-carboxylic acid.

Molecular Properties

Compound Name2-aminoazulene-1-carboxylic acid
PubChem CID139642161
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-aminoazulene-1-carboxylic acid
SMILESNc1cc2cccccc-2c1C(=O)O
InChIInChI=1S/C11H9NO2/c12-9-6-7-4-2-1-3-5-8(7)10(9)11(13)14/h1-6H,12H2,(H,13,14)
InChIKeyIFKZQSDZAOECBW-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-aminoazulene-1-carboxylate
CID 11458568
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
5-amino-2,3-diphenylterephthalic acid
CID 174316349
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618
3-phenylphthalic acid;dihydrobromide
CID 67683459
anthracene;3-phenylphthalic acid
CID 161382372
2-formyl-6-phenylbenzoic acid
CID 18003803
3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
CID 57483789
3-amino-2-(2-phenylbenzoyl)benzoic acid
CID 70111879
2-amino-3-fluoro-5-phenylterephthalic acid
CID 175158436
3-(4-aminophenyl)phthalic acid
CID 150193527
2-benzoyl-6-phenylbenzoic acid
CID 174388121

Frequently Asked Questions

What is the IUPAC name of 2-aminoazulene-1-carboxylic acid?
The IUPAC name of 2-aminoazulene-1-carboxylic acid (CID 139642161) is 2-aminoazulene-1-carboxylic acid.
What is the SMILES notation for 2-aminoazulene-1-carboxylic acid?
The canonical SMILES for 2-aminoazulene-1-carboxylic acid is Nc1cc2cccccc-2c1C(=O)O.
What is the InChIKey of 2-aminoazulene-1-carboxylic acid?
The InChIKey is IFKZQSDZAOECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-9-6-7-4-2-1-3-5-8(7)10(9)11(13)14/h1-6H,12H2,(H,13,14).
What are the key properties of 2-aminoazulene-1-carboxylic acid?
2-aminoazulene-1-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoazulene-1-carboxylic acid is sourced from PubChem (CID 139642161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).