4H-cyclopenta[c]chromen-2-one

C12H8O2 — CID 141099340

IUPAC4H-cyclopenta[c]chromen-2-one
SMILESO=C1C=C2COc3ccccc3C2=C1
InChIInChI=1S/C12H8O2/c13-9-5-8-7-14-12-4-2-1-3-10(12)11(8)6-9/h1-6H,7H2
InChIKeyZBODJXMEXVUULL-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.97
Rot. Bonds

About 4H-cyclopenta[c]chromen-2-one

4H-cyclopenta[c]chromen-2-one (PubChem CID 141099340) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4H-cyclopenta[c]chromen-2-one.

Molecular Properties

Compound Name4H-cyclopenta[c]chromen-2-one
PubChem CID141099340
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Name4H-cyclopenta[c]chromen-2-one
SMILESO=C1C=C2COc3ccccc3C2=C1
InChIInChI=1S/C12H8O2/c13-9-5-8-7-14-12-4-2-1-3-10(12)11(8)6-9/h1-6H,7H2
InChIKeyZBODJXMEXVUULL-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-cyclopenta[c]chromen-2-one?
The IUPAC name of 4H-cyclopenta[c]chromen-2-one (CID 141099340) is 4H-cyclopenta[c]chromen-2-one.
What is the SMILES notation for 4H-cyclopenta[c]chromen-2-one?
The canonical SMILES for 4H-cyclopenta[c]chromen-2-one is O=C1C=C2COc3ccccc3C2=C1.
What is the InChIKey of 4H-cyclopenta[c]chromen-2-one?
The InChIKey is ZBODJXMEXVUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-9-5-8-7-14-12-4-2-1-3-10(12)11(8)6-9/h1-6H,7H2.
What are the key properties of 4H-cyclopenta[c]chromen-2-one?
4H-cyclopenta[c]chromen-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclopenta[c]chromen-2-one is sourced from PubChem (CID 141099340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).