CID 69397190

C9H11NNaO2 — CID 69397190

IUPAC—
SMILESCN(C)c1ccc(C(=O)O)cc1.[Na]
InChIInChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);
InChIKeyRWOYHQTWJXYDEI-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.07
Rot. Bonds2

About CID 69397190

CID 69397190 (PubChem CID 69397190) has the molecular formula C9H11NNaO2 and a molecular weight of 188.18 g/mol.

Molecular Properties

Compound NameCID 69397190
PubChem CID69397190
Molecular FormulaC9H11NNaO2
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name—
SMILESCN(C)c1ccc(C(=O)O)cc1.[Na]
InChIInChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);
InChIKeyRWOYHQTWJXYDEI-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)benzoic acid;hydrochloride
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4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
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4-(dimethylamino)benzoic acid;ethoxyethane
CID 69006892
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-carboxyphenolate;N,N-dimethylpyridin-1-ium-4-amine
CID 139147116
terephthalic acid
CID 160582437
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
4-[methyl-(methylideneamino)amino]benzoic acid
CID 142616286

Frequently Asked Questions

What is the IUPAC name of CID 69397190?
The IUPAC name of CID 69397190 (CID 69397190) is not available.
What is the SMILES notation for CID 69397190?
The canonical SMILES for CID 69397190 is CN(C)c1ccc(C(=O)O)cc1.[Na].
What is the InChIKey of CID 69397190?
The InChIKey is RWOYHQTWJXYDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);.
What are the key properties of CID 69397190?
CID 69397190 has a molecular weight of 188.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69397190 is sourced from PubChem (CID 69397190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).