8,9-dihydro-7H-cyclopenta[h]chromen-2-one

C12H10O2 — CID 141136737

IUPAC8,9-dihydro-7H-cyclopenta[h]chromen-2-one
SMILESO=c1ccc2ccc3c(c2o1)CCC3
InChIInChI=1S/C12H10O2/c13-11-7-6-9-5-4-8-2-1-3-10(8)12(9)14-11/h4-7H,1-3H2
InChIKeyXFQGHYQTUMKHEI-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.28
Rot. Bonds

About 8,9-dihydro-7H-cyclopenta[h]chromen-2-one

8,9-dihydro-7H-cyclopenta[h]chromen-2-one (PubChem CID 141136737) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 8,9-dihydro-7H-cyclopenta[h]chromen-2-one.

Molecular Properties

Compound Name8,9-dihydro-7H-cyclopenta[h]chromen-2-one
PubChem CID141136737
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name8,9-dihydro-7H-cyclopenta[h]chromen-2-one
SMILESO=c1ccc2ccc3c(c2o1)CCC3
InChIInChI=1S/C12H10O2/c13-11-7-6-9-5-4-8-2-1-3-10(8)12(9)14-11/h4-7H,1-3H2
InChIKeyXFQGHYQTUMKHEI-UHFFFAOYSA-N
XLogP2.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-cyclopenta[h]chromen-2-one?
The IUPAC name of 8,9-dihydro-7H-cyclopenta[h]chromen-2-one (CID 141136737) is 8,9-dihydro-7H-cyclopenta[h]chromen-2-one.
What is the SMILES notation for 8,9-dihydro-7H-cyclopenta[h]chromen-2-one?
The canonical SMILES for 8,9-dihydro-7H-cyclopenta[h]chromen-2-one is O=c1ccc2ccc3c(c2o1)CCC3.
What is the InChIKey of 8,9-dihydro-7H-cyclopenta[h]chromen-2-one?
The InChIKey is XFQGHYQTUMKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-7-6-9-5-4-8-2-1-3-10(8)12(9)14-11/h4-7H,1-3H2.
What are the key properties of 8,9-dihydro-7H-cyclopenta[h]chromen-2-one?
8,9-dihydro-7H-cyclopenta[h]chromen-2-one has a molecular weight of 186.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-cyclopenta[h]chromen-2-one is sourced from PubChem (CID 141136737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).