s-indacene

C12H8 — CID 5460734

IUPACs-indacene
SMILESC1=Cc2cc3c(cc2=C1)C=CC=3
InChIInChI=1S/C12H8/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H
InChIKeyWEMQMWWWCBYPOV-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.30
Rot. Bonds

About s-indacene

s-indacene (PubChem CID 5460734) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is s-indacene.

Molecular Properties

Compound Names-indacene
PubChem CID5460734
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Names-indacene
SMILESC1=Cc2cc3c(cc2=C1)C=CC=3
InChIInChI=1S/C12H8/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H
InChIKeyWEMQMWWWCBYPOV-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of s-indacene?
The IUPAC name of s-indacene (CID 5460734) is s-indacene.
What is the SMILES notation for s-indacene?
The canonical SMILES for s-indacene is C1=Cc2cc3c(cc2=C1)C=CC=3.
What is the InChIKey of s-indacene?
The InChIKey is WEMQMWWWCBYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H.
What are the key properties of s-indacene?
s-indacene has a molecular weight of 152.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for s-indacene is sourced from PubChem (CID 5460734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).