2-methyl-1,2,3a,8b-tetrahydroacenaphthylene

C13H14 — CID 123358834

IUPAC2-methyl-1,2,3a,8b-tetrahydroacenaphthylene
SMILESCC1CC2=CC=CC3=CC=CC1C32
InChIInChI=1S/C13H14/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-7,9,12-13H,8H2,1H3
InChIKeyUEHRZNDTSZHZGM-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.25
Rot. Bonds

About 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene

2-methyl-1,2,3a,8b-tetrahydroacenaphthylene (PubChem CID 123358834) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene.

Molecular Properties

Compound Name2-methyl-1,2,3a,8b-tetrahydroacenaphthylene
PubChem CID123358834
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name2-methyl-1,2,3a,8b-tetrahydroacenaphthylene
SMILESCC1CC2=CC=CC3=CC=CC1C32
InChIInChI=1S/C13H14/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-7,9,12-13H,8H2,1H3
InChIKeyUEHRZNDTSZHZGM-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene 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

10b,10c-dihydropyrene;ethane
CID 123567787
1,2,2a,9-tetrahydrobenzo[cd]indole
CID 18922709
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
CID 91595441
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
4-methyl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
CID 147171031
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
3-methyl-2,3,3a,7a-tetrahydro-1-benzothiophen-7-amine
CID 166919196
(4S,5R)-5-(6-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpyrrolidin-2-one
CID 155223262
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
8-methyl-8,8a-dihydro-2H-chromene
CID 91310299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene?
The IUPAC name of 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene (CID 123358834) is 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene.
What is the SMILES notation for 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene?
The canonical SMILES for 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene is CC1CC2=CC=CC3=CC=CC1C32.
What is the InChIKey of 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene?
The InChIKey is UEHRZNDTSZHZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-7,9,12-13H,8H2,1H3.
What are the key properties of 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene?
2-methyl-1,2,3a,8b-tetrahydroacenaphthylene has a molecular weight of 170.25 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3a,8b-tetrahydroacenaphthylene is sourced from PubChem (CID 123358834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).