7-methylcyclopenta[a]inden-4-olate

C13H9O- — CID 134949521

IUPAC7-methylcyclopenta[a]inden-4-olate
SMILESCc1ccc2c(c1)=C1C=CC=C1C=2[O-]
InChIInChI=1S/C13H10O/c1-8-5-6-11-12(7-8)9-3-2-4-10(9)13(11)14/h2-7,14H,1H3/p-1
InChIKeyARFLCONQXXPKRB-UHFFFAOYSA-M
MW181.21 g/mol
LogP0.12
Rot. Bonds

About 7-methylcyclopenta[a]inden-4-olate

7-methylcyclopenta[a]inden-4-olate (PubChem CID 134949521) has the molecular formula C13H9O- and a molecular weight of 181.21 g/mol. Its IUPAC name is 7-methylcyclopenta[a]inden-4-olate.

Molecular Properties

Compound Name7-methylcyclopenta[a]inden-4-olate
PubChem CID134949521
Molecular FormulaC13H9O-
Molecular Weight181.21 g/mol
Exact Mass181.07
IUPAC Name7-methylcyclopenta[a]inden-4-olate
SMILESCc1ccc2c(c1)=C1C=CC=C1C=2[O-]
InChIInChI=1S/C13H10O/c1-8-5-6-11-12(7-8)9-3-2-4-10(9)13(11)14/h2-7,14H,1H3/p-1
InChIKeyARFLCONQXXPKRB-UHFFFAOYSA-M
XLogP0.12
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methylcyclopenta[a]inden-4-olate?
The IUPAC name of 7-methylcyclopenta[a]inden-4-olate (CID 134949521) is 7-methylcyclopenta[a]inden-4-olate.
What is the SMILES notation for 7-methylcyclopenta[a]inden-4-olate?
The canonical SMILES for 7-methylcyclopenta[a]inden-4-olate is Cc1ccc2c(c1)=C1C=CC=C1C=2[O-].
What is the InChIKey of 7-methylcyclopenta[a]inden-4-olate?
The InChIKey is ARFLCONQXXPKRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O/c1-8-5-6-11-12(7-8)9-3-2-4-10(9)13(11)14/h2-7,14H,1H3/p-1.
What are the key properties of 7-methylcyclopenta[a]inden-4-olate?
7-methylcyclopenta[a]inden-4-olate has a molecular weight of 181.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylcyclopenta[a]inden-4-olate is sourced from PubChem (CID 134949521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).