1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid

C10H13NO2 — CID 83816824

IUPAC1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C10H13NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyWZOZVVWFNMNTFL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.60
Rot. Bonds1

About 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid

1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid (PubChem CID 83816824) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
PubChem CID83816824
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C10H13NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyWZOZVVWFNMNTFL-UHFFFAOYSA-N
XLogP1.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213213
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213216
ethyl (E)-3-(diethylamino)-3-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)prop-2-enoate
CID 46910690
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
2-[ethylsulfanyl-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)methylidene]propanedinitrile
CID 11673461
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
5-[(2-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213218
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
(E,4Z)-4-[(benzylamino)-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)methylidene]-1,5-diphenylpent-2-ene-1,5-dione
CID 162402454
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone
CID 169082507
5-(1-propyl-4,5,6,7-tetrahydroindol-2-yl)pentanoic acid
CID 139599948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid (CID 83816824) is 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid is Cn1c(C(=O)O)cc2c1CCCC2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid?
The InChIKey is WZOZVVWFNMNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid?
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid is sourced from PubChem (CID 83816824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).