3,4,7-trimethyl-1H-indole-2-carboxylate

C12H12NO2- — CID 7219762

IUPAC3,4,7-trimethyl-1H-indole-2-carboxylate
SMILESCc1ccc(C)c2c(C)c(C(=O)[O-])[nH]c12
InChIInChI=1S/C12H13NO2/c1-6-4-5-7(2)10-9(6)8(3)11(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15)/p-1
InChIKeyNTLCTUIGGRCPPO-UHFFFAOYSA-M
MW202.23 g/mol
LogP1.46
Rot. Bonds1

About 3,4,7-trimethyl-1H-indole-2-carboxylate

3,4,7-trimethyl-1H-indole-2-carboxylate (PubChem CID 7219762) has the molecular formula C12H12NO2- and a molecular weight of 202.23 g/mol. Its IUPAC name is 3,4,7-trimethyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3,4,7-trimethyl-1H-indole-2-carboxylate
PubChem CID7219762
Molecular FormulaC12H12NO2-
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name3,4,7-trimethyl-1H-indole-2-carboxylate
SMILESCc1ccc(C)c2c(C)c(C(=O)[O-])[nH]c12
InChIInChI=1S/C12H13NO2/c1-6-4-5-7(2)10-9(6)8(3)11(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15)/p-1
InChIKeyNTLCTUIGGRCPPO-UHFFFAOYSA-M
XLogP1.46
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3,4,7-trimethyl-1H-indole
CID 84629053
3-acetyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 84626563
N-[(1R,3R)-3-aminocyclopentyl]-3,4,7-trimethyl-1H-indole-2-carboxamide
CID 56861965
4,7-dimethyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84626604
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
3-methoxycarbonyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 54301666
[4-(thian-4-yl)piperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 74238897
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70731737
methyl 3-acetamido-4,7-dimethyl-1H-indole-2-carboxylate
CID 54254134
3,6,7-trimethyl-1H-indole-2-carboxylic acid
CID 21239696
N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 70781921
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70716899

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-1H-indole-2-carboxylate?
The IUPAC name of 3,4,7-trimethyl-1H-indole-2-carboxylate (CID 7219762) is 3,4,7-trimethyl-1H-indole-2-carboxylate.
What is the SMILES notation for 3,4,7-trimethyl-1H-indole-2-carboxylate?
The canonical SMILES for 3,4,7-trimethyl-1H-indole-2-carboxylate is Cc1ccc(C)c2c(C)c(C(=O)[O-])[nH]c12.
What is the InChIKey of 3,4,7-trimethyl-1H-indole-2-carboxylate?
The InChIKey is NTLCTUIGGRCPPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO2/c1-6-4-5-7(2)10-9(6)8(3)11(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15)/p-1.
What are the key properties of 3,4,7-trimethyl-1H-indole-2-carboxylate?
3,4,7-trimethyl-1H-indole-2-carboxylate has a molecular weight of 202.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-1H-indole-2-carboxylate is sourced from PubChem (CID 7219762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).