as-indacene

C12H8 — CID 5460727

IUPACas-indacene
SMILESC1=Cc2c3c(ccc2=C1)=CC=C3
InChIInChI=1S/C12H8/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-8H
InChIKeyKNNXFYIMEYKHBZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.30
Rot. Bonds

About as-indacene

as-indacene (PubChem CID 5460727) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is as-indacene.

Molecular Properties

Compound Nameas-indacene
PubChem CID5460727
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Nameas-indacene
SMILESC1=Cc2c3c(ccc2=C1)=CC=C3
InChIInChI=1S/C12H8/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-8H
InChIKeyKNNXFYIMEYKHBZ-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 as-indacene?
The IUPAC name of as-indacene (CID 5460727) is as-indacene.
What is the SMILES notation for as-indacene?
The canonical SMILES for as-indacene is C1=Cc2c3c(ccc2=C1)=CC=C3.
What is the InChIKey of as-indacene?
The InChIKey is KNNXFYIMEYKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-8H.
What are the key properties of as-indacene?
as-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 as-indacene is sourced from PubChem (CID 5460727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).