azulene-2-carboxylic acid;N,N-dimethylmethanimidamide

C14H16N2O2 — CID 174674988

IUPACazulene-2-carboxylic acid;N,N-dimethylmethanimidamide
SMILESO=C(O)c1cc2cccccc-2c1.[H]/N=C/N(C)C
InChIInChI=1S/C11H8O2.C3H8N2/c12-11(13)10-6-8-4-2-1-3-5-9(8)7-10;1-5(2)3-4/h1-7H,(H,12,13);3-4H,1-2H3/b;4-3+
InChIKeyXOYVNOVQBGZVBW-SCBDLNNBSA-N
MW244.29 g/mol
LogP2.64
Rot. Bonds2

About azulene-2-carboxylic acid;N,N-dimethylmethanimidamide

azulene-2-carboxylic acid;N,N-dimethylmethanimidamide (PubChem CID 174674988) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is azulene-2-carboxylic acid;N,N-dimethylmethanimidamide.

Molecular Properties

Compound Nameazulene-2-carboxylic acid;N,N-dimethylmethanimidamide
PubChem CID174674988
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameazulene-2-carboxylic acid;N,N-dimethylmethanimidamide
SMILESO=C(O)c1cc2cccccc-2c1.[H]/N=C/N(C)C
InChIInChI=1S/C11H8O2.C3H8N2/c12-11(13)10-6-8-4-2-1-3-5-9(8)7-10;1-5(2)3-4/h1-7H,(H,12,13);3-4H,1-2H3/b;4-3+
InChIKeyXOYVNOVQBGZVBW-SCBDLNNBSA-N
XLogP2.64
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
6-methylazulene-2-carboxylic acid
CID 57055895
1-azulen-2-ylethanone
CID 15255141
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
3-fluoro-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226399

Frequently Asked Questions

What is the IUPAC name of azulene-2-carboxylic acid;N,N-dimethylmethanimidamide?
The IUPAC name of azulene-2-carboxylic acid;N,N-dimethylmethanimidamide (CID 174674988) is azulene-2-carboxylic acid;N,N-dimethylmethanimidamide.
What is the SMILES notation for azulene-2-carboxylic acid;N,N-dimethylmethanimidamide?
The canonical SMILES for azulene-2-carboxylic acid;N,N-dimethylmethanimidamide is O=C(O)c1cc2cccccc-2c1.[H]/N=C/N(C)C.
What is the InChIKey of azulene-2-carboxylic acid;N,N-dimethylmethanimidamide?
The InChIKey is XOYVNOVQBGZVBW-SCBDLNNBSA-N. The full InChI is InChI=1S/C11H8O2.C3H8N2/c12-11(13)10-6-8-4-2-1-3-5-9(8)7-10;1-5(2)3-4/h1-7H,(H,12,13);3-4H,1-2H3/b;4-3+.
What are the key properties of azulene-2-carboxylic acid;N,N-dimethylmethanimidamide?
azulene-2-carboxylic acid;N,N-dimethylmethanimidamide has a molecular weight of 244.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-2-carboxylic acid;N,N-dimethylmethanimidamide is sourced from PubChem (CID 174674988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).