2,3-dimethyl-1H-indole-7-carboxylate

C11H10NO2- — CID 6950947

IUPAC2,3-dimethyl-1H-indole-7-carboxylate
SMILESCc1[nH]c2c(C(=O)[O-])cccc2c1C
InChIInChI=1S/C11H11NO2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1
InChIKeyITMIUTVFOTYMOJ-UHFFFAOYSA-M
MW188.21 g/mol
LogP1.15
Rot. Bonds1

About 2,3-dimethyl-1H-indole-7-carboxylate

2,3-dimethyl-1H-indole-7-carboxylate (PubChem CID 6950947) has the molecular formula C11H10NO2- and a molecular weight of 188.21 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole-7-carboxylate.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole-7-carboxylate
PubChem CID6950947
Molecular FormulaC11H10NO2-
Molecular Weight188.21 g/mol
Exact Mass188.07
IUPAC Name2,3-dimethyl-1H-indole-7-carboxylate
SMILESCc1[nH]c2c(C(=O)[O-])cccc2c1C
InChIInChI=1S/C11H11NO2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1
InChIKeyITMIUTVFOTYMOJ-UHFFFAOYSA-M
XLogP1.15
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate
CID 7137853
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
2-methyl-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-8-carboxylate
CID 7137855
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
CID 39949321
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 154834919
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole-7-carboxylate?
The IUPAC name of 2,3-dimethyl-1H-indole-7-carboxylate (CID 6950947) is 2,3-dimethyl-1H-indole-7-carboxylate.
What is the SMILES notation for 2,3-dimethyl-1H-indole-7-carboxylate?
The canonical SMILES for 2,3-dimethyl-1H-indole-7-carboxylate is Cc1[nH]c2c(C(=O)[O-])cccc2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole-7-carboxylate?
The InChIKey is ITMIUTVFOTYMOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1.
What are the key properties of 2,3-dimethyl-1H-indole-7-carboxylate?
2,3-dimethyl-1H-indole-7-carboxylate has a molecular weight of 188.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole-7-carboxylate is sourced from PubChem (CID 6950947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).