1,8-dihydro-as-indacene

C12H10 — CID 11030043

IUPAC1,8-dihydro-as-indacene
SMILESC1=Cc2ccc3c(c2C1)CC=C3
InChIInChI=1S/C12H10/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-4,7-8H,5-6H2
InChIKeyQQZLVSIUHNAQFS-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.83
Rot. Bonds

About 1,8-dihydro-as-indacene

1,8-dihydro-as-indacene (PubChem CID 11030043) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,8-dihydro-as-indacene.

Molecular Properties

Compound Name1,8-dihydro-as-indacene
PubChem CID11030043
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Name1,8-dihydro-as-indacene
SMILESC1=Cc2ccc3c(c2C1)CC=C3
InChIInChI=1S/C12H10/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-4,7-8H,5-6H2
InChIKeyQQZLVSIUHNAQFS-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydro-as-indacene?
The IUPAC name of 1,8-dihydro-as-indacene (CID 11030043) is 1,8-dihydro-as-indacene.
What is the SMILES notation for 1,8-dihydro-as-indacene?
The canonical SMILES for 1,8-dihydro-as-indacene is C1=Cc2ccc3c(c2C1)CC=C3.
What is the InChIKey of 1,8-dihydro-as-indacene?
The InChIKey is QQZLVSIUHNAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h1-4,7-8H,5-6H2.
What are the key properties of 1,8-dihydro-as-indacene?
1,8-dihydro-as-indacene has a molecular weight of 154.21 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydro-as-indacene is sourced from PubChem (CID 11030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).