2,3-dimethyl-1H-indole;molecular hydrogen

C10H13N — CID 142083168

IUPAC2,3-dimethyl-1H-indole;molecular hydrogen
SMILESCc1[nH]c2ccccc2c1C.[H][H]
InChIInChI=1S/C10H11N.H2/c1-7-8(2)11-10-6-4-3-5-9(7)10;/h3-6,11H,1-2H3;1H
InChIKeyDHXOBPGEQSRTKU-UHFFFAOYSA-N
MW147.22 g/mol
LogP3.03
Rot. Bonds

About 2,3-dimethyl-1H-indole;molecular hydrogen

2,3-dimethyl-1H-indole;molecular hydrogen (PubChem CID 142083168) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole;molecular hydrogen
PubChem CID142083168
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,3-dimethyl-1H-indole;molecular hydrogen
SMILESCc1[nH]c2ccccc2c1C.[H][H]
InChIInChI=1S/C10H11N.H2/c1-7-8(2)11-10-6-4-3-5-9(7)10;/h3-6,11H,1-2H3;1H
InChIKeyDHXOBPGEQSRTKU-UHFFFAOYSA-N
XLogP3.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 53.03
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

butane;2,3-dimethyl-1H-indole
CID 143059445
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
CID 143016704
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-methyl-1H-indole-2-carbonitrile
CID 593371
bromomethane;9H-carbazole
CID 67594562
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
2-methyl-3-phenylselanyl-1H-indole
CID 12843402

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole;molecular hydrogen?
The IUPAC name of 2,3-dimethyl-1H-indole;molecular hydrogen (CID 142083168) is 2,3-dimethyl-1H-indole;molecular hydrogen.
What is the SMILES notation for 2,3-dimethyl-1H-indole;molecular hydrogen?
The canonical SMILES for 2,3-dimethyl-1H-indole;molecular hydrogen is Cc1[nH]c2ccccc2c1C.[H][H].
What is the InChIKey of 2,3-dimethyl-1H-indole;molecular hydrogen?
The InChIKey is DHXOBPGEQSRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.H2/c1-7-8(2)11-10-6-4-3-5-9(7)10;/h3-6,11H,1-2H3;1H.
What are the key properties of 2,3-dimethyl-1H-indole;molecular hydrogen?
2,3-dimethyl-1H-indole;molecular hydrogen has a molecular weight of 147.22 g/mol, XLogP of 3.03, 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;molecular hydrogen is sourced from PubChem (CID 142083168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).