3,3,4-trimethyl-2-methylidene-1H-indole

C12H15N — CID 58760937

IUPAC3,3,4-trimethyl-2-methylidene-1H-indole
SMILESC=C1Nc2cccc(C)c2C1(C)C
InChIInChI=1S/C12H15N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5-7,13H,2H2,1,3-4H3
InChIKeyMUNLTGWZMGKMIS-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.21
Rot. Bonds

About 3,3,4-trimethyl-2-methylidene-1H-indole

3,3,4-trimethyl-2-methylidene-1H-indole (PubChem CID 58760937) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,3,4-trimethyl-2-methylidene-1H-indole.

Molecular Properties

Compound Name3,3,4-trimethyl-2-methylidene-1H-indole
PubChem CID58760937
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3,3,4-trimethyl-2-methylidene-1H-indole
SMILESC=C1Nc2cccc(C)c2C1(C)C
InChIInChI=1S/C12H15N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5-7,13H,2H2,1,3-4H3
InChIKeyMUNLTGWZMGKMIS-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,4-trimethyl-2-methylidene-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-9-methylidene-10H-acridine
CID 163893575
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
3,5-dimethyl-2-methylidene-1H-quinoxaline
CID 154258432
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
2,4,4,5-tetramethyl-2,3-dihydro-1H-quinoline
CID 117272177
4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
CID 163580758
1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859544
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659
4-methylspiro[1H-indole-3,5'-oxolane]-2,2'-dione
CID 132577226

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-2-methylidene-1H-indole?
The IUPAC name of 3,3,4-trimethyl-2-methylidene-1H-indole (CID 58760937) is 3,3,4-trimethyl-2-methylidene-1H-indole.
What is the SMILES notation for 3,3,4-trimethyl-2-methylidene-1H-indole?
The canonical SMILES for 3,3,4-trimethyl-2-methylidene-1H-indole is C=C1Nc2cccc(C)c2C1(C)C.
What is the InChIKey of 3,3,4-trimethyl-2-methylidene-1H-indole?
The InChIKey is MUNLTGWZMGKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5-7,13H,2H2,1,3-4H3.
What are the key properties of 3,3,4-trimethyl-2-methylidene-1H-indole?
3,3,4-trimethyl-2-methylidene-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-2-methylidene-1H-indole is sourced from PubChem (CID 58760937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).