2-methyl-2,3,3a,4-tetrahydroindol-1-ide

C9H12N- — CID 19835384

IUPAC2-methyl-2,3,3a,4-tetrahydroindol-1-ide
SMILESCC1CC2CC=CC=C2[N-]1
InChIInChI=1S/C9H12N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-3,5,7-8H,4,6H2,1H3/q-1
InChIKeyIZJOCNLQCNVEGW-UHFFFAOYSA-N
MW134.20 g/mol
LogP2.61
Rot. Bonds

About 2-methyl-2,3,3a,4-tetrahydroindol-1-ide

2-methyl-2,3,3a,4-tetrahydroindol-1-ide (PubChem CID 19835384) has the molecular formula C9H12N- and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4-tetrahydroindol-1-ide.

Molecular Properties

Compound Name2-methyl-2,3,3a,4-tetrahydroindol-1-ide
PubChem CID19835384
Molecular FormulaC9H12N-
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name2-methyl-2,3,3a,4-tetrahydroindol-1-ide
SMILESCC1CC2CC=CC=C2[N-]1
InChIInChI=1S/C9H12N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-3,5,7-8H,4,6H2,1H3/q-1
InChIKeyIZJOCNLQCNVEGW-UHFFFAOYSA-N
XLogP2.61
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-2,3,3a,4-tetrahydroindol-1-ide 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

3-methyl-7,7a-dihydro-1H-indene
CID 90996575
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 140970870
bis(2,3-dimethyl-1,2,7,7a-tetrahydroinden-3-ide);zirconium(4+);dibromide
CID 158135805
bis(3-methyl-1,2,7,7a-tetrahydroinden-3-ide);zirconium(2+)
CID 154115178
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
CID 140588324
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
2-methyl-1,3,3a,4-tetrahydroisoindole
CID 66962228
3,4,4a,5-tetrahydro-1,2-benzodioxine
CID 87369437
2a,3,7,7a,8,8a-hexahydrocyclobuta[b]naphthalene
CID 173279246
(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
CID 58835522
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
hafnium(4+);bis(2-propan-2-yl-2,3,3a,4-tetrahydro-1H-inden-1-ide);dichloride
CID 174428594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4-tetrahydroindol-1-ide?
The IUPAC name of 2-methyl-2,3,3a,4-tetrahydroindol-1-ide (CID 19835384) is 2-methyl-2,3,3a,4-tetrahydroindol-1-ide.
What is the SMILES notation for 2-methyl-2,3,3a,4-tetrahydroindol-1-ide?
The canonical SMILES for 2-methyl-2,3,3a,4-tetrahydroindol-1-ide is CC1CC2CC=CC=C2[N-]1.
What is the InChIKey of 2-methyl-2,3,3a,4-tetrahydroindol-1-ide?
The InChIKey is IZJOCNLQCNVEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-3,5,7-8H,4,6H2,1H3/q-1.
What are the key properties of 2-methyl-2,3,3a,4-tetrahydroindol-1-ide?
2-methyl-2,3,3a,4-tetrahydroindol-1-ide has a molecular weight of 134.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,4-tetrahydroindol-1-ide is sourced from PubChem (CID 19835384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).