2,4-dimethyl-3aH-indole

C10H11N — CID 139306317

IUPAC2,4-dimethyl-3aH-indole
SMILESCC1=CC2C(C)=CC=CC2=N1
InChIInChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,9H,1-2H3
InChIKeyWTYCDCRYWLJCAA-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 2,4-dimethyl-3aH-indole

2,4-dimethyl-3aH-indole (PubChem CID 139306317) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,4-dimethyl-3aH-indole.

Molecular Properties

Compound Name2,4-dimethyl-3aH-indole
PubChem CID139306317
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,4-dimethyl-3aH-indole
SMILESCC1=CC2C(C)=CC=CC2=N1
InChIInChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,9H,1-2H3
InChIKeyWTYCDCRYWLJCAA-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
CID 142275224
1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
CID 141384688
6-methyl-4aH-carbazole
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1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
(6S)-2,5-dimethylbicyclo[4.1.0]hepta-1(7),2,4-triene
CID 163857189
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
8-methyl-3,8a-dihydroquinoline
CID 91299427
5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene
CID 174603908
2,3,4,7-tetramethyl-3H-azepine
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(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3aH-indole?
The IUPAC name of 2,4-dimethyl-3aH-indole (CID 139306317) is 2,4-dimethyl-3aH-indole.
What is the SMILES notation for 2,4-dimethyl-3aH-indole?
The canonical SMILES for 2,4-dimethyl-3aH-indole is CC1=CC2C(C)=CC=CC2=N1.
What is the InChIKey of 2,4-dimethyl-3aH-indole?
The InChIKey is WTYCDCRYWLJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,9H,1-2H3.
What are the key properties of 2,4-dimethyl-3aH-indole?
2,4-dimethyl-3aH-indole has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3aH-indole is sourced from PubChem (CID 139306317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).