2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid

C11H13NO2 — CID 57324652

IUPAC2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8-5-7(10(13)14)3-4-9(8)12-11/h3-5,12H,6H2,1-2H3,(H,13,14)
InChIKeyPFGCPPGPZMWVTK-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds1

About 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid

2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid (PubChem CID 57324652) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
PubChem CID57324652
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8-5-7(10(13)14)3-4-9(8)12-11/h3-5,12H,6H2,1-2H3,(H,13,14)
InChIKeyPFGCPPGPZMWVTK-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1,3-dihydroindole-5-carboxamide
CID 174931902
3,3-dimethyl-2,4-dihydro-1,4-benzothiazine-7-carboxylic acid
CID 115096230
4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid
CID 84633101
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852
3,3-dimethyl-4,5-dihydro-2H-1,5-benzothiazepine-8-carboxylic acid
CID 115098822
2-tert-butyl-5-methoxycarbonyl-1,3-dihydroindole-2-carboxylic acid
CID 175093374
2,3-dihydro-1H-indazole-5-carboxylic acid
CID 68838696
3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzoic acid
CID 69211939
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67458350
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
2-(7-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209323

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid (CID 57324652) is 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid?
The InChIKey is PFGCPPGPZMWVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)6-8-5-7(10(13)14)3-4-9(8)12-11/h3-5,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid?
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 57324652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).