6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid

C11H13NO3 — CID 84675035

IUPAC6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)[nH]c2C1
InChIInChI=1S/C11H13NO3/c1-11(2)4-8-6(9(13)5-11)3-7(12-8)10(14)15/h3,12H,4-5H2,1-2H3,(H,14,15)
InChIKeyMFDJGKVFKKVYOX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.87
Rot. Bonds1

About 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid

6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid (PubChem CID 84675035) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
PubChem CID84675035
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)O)[nH]c2C1
InChIInChI=1S/C11H13NO3/c1-11(2)4-8-6(9(13)5-11)3-7(12-8)10(14)15/h3,12H,4-5H2,1-2H3,(H,14,15)
InChIKeyMFDJGKVFKKVYOX-UHFFFAOYSA-N
XLogP1.87
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
N,N-diethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495491
7,7-dimethyl-3-(2,2,3,3-tetramethylazetidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 71925205
(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115720
3-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-ethylamino]propanoic acid
CID 119191038
6-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]hexanoic acid
CID 119219815
(2R)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119367652
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 120655797
N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559812
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564223
(2S,3S)-2-[(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)amino]-3-methylpentanoic acid
CID 119193879
N-(3-methoxypropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495461

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid (CID 84675035) is 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid is CC1(C)CC(=O)c2cc(C(=O)O)[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is MFDJGKVFKKVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(2)4-8-6(9(13)5-11)3-7(12-8)10(14)15/h3,12H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 84675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).