3-cyclopenta-2,4-dien-1-ylchromen-2-one

C14H10O2 — CID 162353174

IUPAC3-cyclopenta-2,4-dien-1-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1C1C=CC=C1
InChIInChI=1S/C14H10O2/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14/h1-10H
InChIKeyAGFWPGZQRZHJFE-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.00
Rot. Bonds1

About 3-cyclopenta-2,4-dien-1-ylchromen-2-one

3-cyclopenta-2,4-dien-1-ylchromen-2-one (PubChem CID 162353174) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylchromen-2-one.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylchromen-2-one
PubChem CID162353174
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name3-cyclopenta-2,4-dien-1-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1C1C=CC=C1
InChIInChI=1S/C14H10O2/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14/h1-10H
InChIKeyAGFWPGZQRZHJFE-UHFFFAOYSA-N
XLogP3.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-4-ylchromen-2-one
CID 118037159
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
CID 140997606
3-trimethylsilylchromen-2-one
CID 71378789
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(trichloromethyl)chromen-2-one
CID 90255631
2-oxochromene-3-carboxylic acid
CID 161011590
3-(hydroxymethyl)chromen-2-one
CID 22921481
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
CID 132548906
3-(2-chloroethoxy)chromen-2-one
CID 141445941
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
(2-oxochromen-3-yl)-triphenylphosphanium
CID 45155780

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylchromen-2-one?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylchromen-2-one (CID 162353174) is 3-cyclopenta-2,4-dien-1-ylchromen-2-one.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylchromen-2-one?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylchromen-2-one is O=c1oc2ccccc2cc1C1C=CC=C1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylchromen-2-one?
The InChIKey is AGFWPGZQRZHJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14/h1-10H.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylchromen-2-one?
3-cyclopenta-2,4-dien-1-ylchromen-2-one has a molecular weight of 210.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylchromen-2-one is sourced from PubChem (CID 162353174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).