2,3-dimethyl-1H-indole

C10H11N — CID 7053

IUPAC2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
InChIKeyPYFVEIDRTLBMHG-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.78
Rot. Bonds

About 2,3-dimethyl-1H-indole

2,3-dimethyl-1H-indole (PubChem CID 7053) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole
PubChem CID7053
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
InChIKeyPYFVEIDRTLBMHG-UHFFFAOYSA-N
XLogP2.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
7H-Dibenzo(c,g)carbazole
CID 9134
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole?
The IUPAC name of 2,3-dimethyl-1H-indole (CID 7053) is 2,3-dimethyl-1H-indole.
What is the SMILES notation for 2,3-dimethyl-1H-indole?
The canonical SMILES for 2,3-dimethyl-1H-indole is Cc1[nH]c2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole?
The InChIKey is PYFVEIDRTLBMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3.
What are the key properties of 2,3-dimethyl-1H-indole?
2,3-dimethyl-1H-indole has a molecular weight of 145.20 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole is sourced from PubChem (CID 7053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).