3-(cyclopenten-1-yl)chromen-4-one

C14H12O2 — CID 134986957

IUPAC3-(cyclopenten-1-yl)chromen-4-one
SMILESO=c1c(C2=CCCC2)coc2ccccc12
InChIInChI=1S/C14H12O2/c15-14-11-7-3-4-8-13(11)16-9-12(14)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2
InChIKeyOCFMOOZIVPJEFR-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.36
Rot. Bonds1

About 3-(cyclopenten-1-yl)chromen-4-one

3-(cyclopenten-1-yl)chromen-4-one (PubChem CID 134986957) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)chromen-4-one.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)chromen-4-one
PubChem CID134986957
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3-(cyclopenten-1-yl)chromen-4-one
SMILESO=c1c(C2=CCCC2)coc2ccccc12
InChIInChI=1S/C14H12O2/c15-14-11-7-3-4-8-13(11)16-9-12(14)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2
InChIKeyOCFMOOZIVPJEFR-UHFFFAOYSA-N
XLogP3.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylchromen-4-one;phosphane
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ethane;3-phenylchromen-4-one
CID 90946880
3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
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3-(4-oxochromen-3-yl)isochromen-1-one
CID 166523801
3-(2-chloro-5-methylphenyl)chromen-4-one
CID 141334254
3-(3-methyl-1-benzothiophen-2-yl)chromen-4-one
CID 102104380
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280
CID 143974471
CID 143974471
amino formate;3-phenylchromen-4-one
CID 174767747
3-furo[3,2-c]pyridin-4-ylchromen-4-one
CID 39826562
3-(4-amino-2-fluorophenyl)chromen-4-one
CID 167449525
benzene;3-hydroxychromen-4-one
CID 175480795

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)chromen-4-one?
The IUPAC name of 3-(cyclopenten-1-yl)chromen-4-one (CID 134986957) is 3-(cyclopenten-1-yl)chromen-4-one.
What is the SMILES notation for 3-(cyclopenten-1-yl)chromen-4-one?
The canonical SMILES for 3-(cyclopenten-1-yl)chromen-4-one is O=c1c(C2=CCCC2)coc2ccccc12.
What is the InChIKey of 3-(cyclopenten-1-yl)chromen-4-one?
The InChIKey is OCFMOOZIVPJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14-11-7-3-4-8-13(11)16-9-12(14)10-5-1-2-6-10/h3-5,7-9H,1-2,6H2.
What are the key properties of 3-(cyclopenten-1-yl)chromen-4-one?
3-(cyclopenten-1-yl)chromen-4-one has a molecular weight of 212.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)chromen-4-one is sourced from PubChem (CID 134986957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).