5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one

C12H12O2 — CID 86047582

IUPAC5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
SMILESCC12CCc3occc3C1=CC(=O)C2
InChIInChI=1S/C12H12O2/c1-12-4-2-11-9(3-5-14-11)10(12)6-8(13)7-12/h3,5-6H,2,4,7H2,1H3
InChIKeyNJOSCQLNKHXQPY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.59
Rot. Bonds

About 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one

5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one (PubChem CID 86047582) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one.

Molecular Properties

Compound Name5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
PubChem CID86047582
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
SMILESCC12CCc3occc3C1=CC(=O)C2
InChIInChI=1S/C12H12O2/c1-12-4-2-11-9(3-5-14-11)10(12)6-8(13)7-12/h3,5-6H,2,4,7H2,1H3
InChIKeyNJOSCQLNKHXQPY-UHFFFAOYSA-N
XLogP2.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431
(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
CID 71388427
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-5-carboxylate
CID 11310068
(10S,13S)-10,13-dimethyl-1,2,12,17-tetrahydrocyclopenta[a]phenanthrene-3,11,16-trione
CID 71765832
tert-butyl N-[(S)-(4-fluorophenyl)-[(5R)-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-5-yl]methyl]carbamate
CID 134954974
6,7-dihydro-1-benzofuran-4-carboxylic acid
CID 174943247
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
(4aS)-4a,7-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 130670337
N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine
CID 4156895

Frequently Asked Questions

What is the IUPAC name of 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one?
The IUPAC name of 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one (CID 86047582) is 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one.
What is the SMILES notation for 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one?
The canonical SMILES for 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one is CC12CCc3occc3C1=CC(=O)C2.
What is the InChIKey of 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one?
The InChIKey is NJOSCQLNKHXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-12-4-2-11-9(3-5-14-11)10(12)6-8(13)7-12/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one?
5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one has a molecular weight of 188.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one is sourced from PubChem (CID 86047582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).