1,2-dihydro-s-indacene

C12H10 — CID 12761290

IUPAC1,2-dihydro-s-indacene
SMILESC1=Cc2cc3c(cc2=C1)CCC=3
InChIInChI=1S/C12H10/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1,3-5,7-8H,2,6H2
InChIKeyAUCOOMOQSAGRSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.22
Rot. Bonds

About 1,2-dihydro-s-indacene

1,2-dihydro-s-indacene (PubChem CID 12761290) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,2-dihydro-s-indacene.

Molecular Properties

Compound Name1,2-dihydro-s-indacene
PubChem CID12761290
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Name1,2-dihydro-s-indacene
SMILESC1=Cc2cc3c(cc2=C1)CCC=3
InChIInChI=1S/C12H10/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1,3-5,7-8H,2,6H2
InChIKeyAUCOOMOQSAGRSM-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dihydro-s-indacene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydro-s-indacene?
The IUPAC name of 1,2-dihydro-s-indacene (CID 12761290) is 1,2-dihydro-s-indacene.
What is the SMILES notation for 1,2-dihydro-s-indacene?
The canonical SMILES for 1,2-dihydro-s-indacene is C1=Cc2cc3c(cc2=C1)CCC=3.
What is the InChIKey of 1,2-dihydro-s-indacene?
The InChIKey is AUCOOMOQSAGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1,3-5,7-8H,2,6H2.
What are the key properties of 1,2-dihydro-s-indacene?
1,2-dihydro-s-indacene has a molecular weight of 154.21 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-s-indacene is sourced from PubChem (CID 12761290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).