7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione

C11H10O3 — CID 91493499

IUPAC7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione
SMILESC=CC=C1C(=O)C(=O)C2=CCCOC12
InChIInChI=1S/C11H10O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2,4-5,11H,1,3,6H2
InChIKeyZTXPDDBBKMHSTJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.97
Rot. Bonds1

About 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione

7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione (PubChem CID 91493499) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione.

Molecular Properties

Compound Name7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione
PubChem CID91493499
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione
SMILESC=CC=C1C(=O)C(=O)C2=CCCOC12
InChIInChI=1S/C11H10O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2,4-5,11H,1,3,6H2
InChIKeyZTXPDDBBKMHSTJ-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-oxabicyclo[3.2.1]oct-4-en-6-one
CID 91375496
Hexahydrodibenzo[b,d]furan-7-one
CID 129751136
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-2-yl)ethanone
CID 139242833
(7aS)-7,7a-dihydro-1-benzofuran-2,6-dione
CID 639176
7,7A-dihydrobenzofuran-2,6-dione
CID 21578514
2,3a-Dihydrocyclopenta[e][1]benzofuran-8-one
CID 66733499
2,3,8,8a-Tetrahydrochromen-7-one
CID 68836738
1-(5-Methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 89073496
2,3,3a,4a-Tetrahydrocyclopenta[b][1]benzofuran-1-one
CID 154155137
(3-Oxo-1,2,5,6-tetrahydroinden-1-yl) 2-methylprop-2-enoate
CID 169889269
1-(5-Methoxy-6-methylidenecyclohexa-1,3-dien-1-yl)ethanone
CID 173316011
1,3-dimethyl-1H-2-benzofuran-4-one
CID 174737945

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione?
The IUPAC name of 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione (CID 91493499) is 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione.
What is the SMILES notation for 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione?
The canonical SMILES for 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione is C=CC=C1C(=O)C(=O)C2=CCCOC12.
What is the InChIKey of 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione?
The InChIKey is ZTXPDDBBKMHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2,4-5,11H,1,3,6H2.
What are the key properties of 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione?
7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione has a molecular weight of 190.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enylidene-3,7a-dihydro-2H-cyclopenta[b]pyran-5,6-dione is sourced from PubChem (CID 91493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).