3,4a-dihydro-2H-cyclopenta[h]chromen-4-one

C12H10O2 — CID 139266880

IUPAC3,4a-dihydro-2H-cyclopenta[h]chromen-4-one
SMILESO=C1CCOC2=C3C=CC=C3C=CC12
InChIInChI=1S/C12H10O2/c13-11-6-7-14-12-9-3-1-2-8(9)4-5-10(11)12/h1-5,10H,6-7H2
InChIKeyBUUVYSWLXQOXCB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.91
Rot. Bonds

About 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one

3,4a-dihydro-2H-cyclopenta[h]chromen-4-one (PubChem CID 139266880) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one.

Molecular Properties

Compound Name3,4a-dihydro-2H-cyclopenta[h]chromen-4-one
PubChem CID139266880
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3,4a-dihydro-2H-cyclopenta[h]chromen-4-one
SMILESO=C1CCOC2=C3C=CC=C3C=CC12
InChIInChI=1S/C12H10O2/c13-11-6-7-14-12-9-3-1-2-8(9)4-5-10(11)12/h1-5,10H,6-7H2
InChIKeyBUUVYSWLXQOXCB-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrobenzopyran-4-one
CID 21322018
3,4a-dihydro-2H-cyclopenta[g]chromen-4-one
CID 88206716
2,3,4,4a-Tetrahydroindeno[1,2-b]pyran
CID 88768287
3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one
CID 91346541
8-Propan-2-yl-2,3,4a,5-tetrahydrochromen-4-one
CID 122448194
(2E)-3-methyl-2-prop-2-enylideneoxan-4-one
CID 134547520
2,3,4,4a-Tetrahydrocyclopenta[h]chromene
CID 140344902
5-methylidene-3,4a-dihydro-2H-chromen-4-one
CID 148095370

Frequently Asked Questions

What is the IUPAC name of 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one?
The IUPAC name of 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one (CID 139266880) is 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one.
What is the SMILES notation for 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one?
The canonical SMILES for 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one is O=C1CCOC2=C3C=CC=C3C=CC12.
What is the InChIKey of 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one?
The InChIKey is BUUVYSWLXQOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-6-7-14-12-9-3-1-2-8(9)4-5-10(11)12/h1-5,10H,6-7H2.
What are the key properties of 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one?
3,4a-dihydro-2H-cyclopenta[h]chromen-4-one has a molecular weight of 186.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a-dihydro-2H-cyclopenta[h]chromen-4-one is sourced from PubChem (CID 139266880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).