2-methyl-1H-indole;oxalic acid

C11H11NO4 — CID 161360574

IUPAC2-methyl-1H-indole;oxalic acid
SMILESCc1cc2ccccc2[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C9H9N.C2H2O4/c1-7-6-8-4-2-3-5-9(8)10-7;3-1(4)2(5)6/h2-6,10H,1H3;(H,3,4)(H,5,6)
InChIKeyVPCPVAXHCWTIHP-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.63
Rot. Bonds

About 2-methyl-1H-indole;oxalic acid

2-methyl-1H-indole;oxalic acid (PubChem CID 161360574) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-methyl-1H-indole;oxalic acid.

Molecular Properties

Compound Name2-methyl-1H-indole;oxalic acid
PubChem CID161360574
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-methyl-1H-indole;oxalic acid
SMILESCc1cc2ccccc2[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C9H9N.C2H2O4/c1-7-6-8-4-2-3-5-9(8)10-7;3-1(4)2(5)6/h2-6,10H,1H3;(H,3,4)(H,5,6)
InChIKeyVPCPVAXHCWTIHP-UHFFFAOYSA-N
XLogP1.63
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzene;2-methyl-1H-indole
CID 158804583
2-methyl-1H-indole;hydrofluoride
CID 163912177
methane;2-methyl-1H-indole;1,2,3,5-tetramethylbenzene
CID 159710668
ethane;1H-indole-2-carboxylic acid
CID 91052830
1H-indol-2-amine;2-methylprop-2-enoic acid
CID 159290995
acetylene;(E)-2-ethoxybut-2-ene;2-methyl-1H-indole
CID 143057697
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
carbamic acid;1H-indol-2-ol
CID 175329326
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
1H-indol-2-ylmethylcarbamic acid
CID 68691362
ethane;2-methyl-1H-indole;(E)-1-(2-methylphenyl)prop-1-ene-1-thiol;molecular hydrogen
CID 142259114
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-indole;oxalic acid?
The IUPAC name of 2-methyl-1H-indole;oxalic acid (CID 161360574) is 2-methyl-1H-indole;oxalic acid.
What is the SMILES notation for 2-methyl-1H-indole;oxalic acid?
The canonical SMILES for 2-methyl-1H-indole;oxalic acid is Cc1cc2ccccc2[nH]1.O=C(O)C(=O)O.
What is the InChIKey of 2-methyl-1H-indole;oxalic acid?
The InChIKey is VPCPVAXHCWTIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H2O4/c1-7-6-8-4-2-3-5-9(8)10-7;3-1(4)2(5)6/h2-6,10H,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-methyl-1H-indole;oxalic acid?
2-methyl-1H-indole;oxalic acid has a molecular weight of 221.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-indole;oxalic acid is sourced from PubChem (CID 161360574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).