2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one

C10H12O2 — CID 112714246

IUPAC2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
SMILESCc1cc2c(o1)C(=O)C(C)(C)C2
InChIInChI=1S/C10H12O2/c1-6-4-7-5-10(2,3)9(11)8(7)12-6/h4H,5H2,1-3H3
InChIKeyIBCBEYBJUVUQAS-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.35
Rot. Bonds

About 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one

2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one (PubChem CID 112714246) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one.

Molecular Properties

Compound Name2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
PubChem CID112714246
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
SMILESCc1cc2c(o1)C(=O)C(C)(C)C2
InChIInChI=1S/C10H12O2/c1-6-4-7-5-10(2,3)9(11)8(7)12-6/h4H,5H2,1-3H3
InChIKeyIBCBEYBJUVUQAS-UHFFFAOYSA-N
XLogP2.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-4H-cyclopenta[b]furan-6-one
CID 112714113
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
(2'R,5S,6S)-5-hydroxy-2'-(2-hydroxypropan-2-yl)-2-methylspiro[4,5-dihydro-1-benzofuran-6,1'-cyclopropane]-7-one
CID 10705797
3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
CID 58212109
5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one
CID 69068236
3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione
CID 43155390
5-(hydroxymethylidene)-2,6,6-trimethyl-7H-1-benzofuran-4-one
CID 131865487
2,2,4,6-tetramethyl-3H-inden-1-one
CID 23227009
5-methylfuran-2,3-dicarbaldehyde
CID 21297715
3,3,8,8,15,15,20,20-octamethyltricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-4,5,6,7,16,17,18,19-octone
CID 11490337
6-hydroxy-2,5-dimethyl-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
CID 112715473
3,6,6-trimethyl-7H-1,2-benzoxazole-4,5-dione
CID 4198700

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one?
The IUPAC name of 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one (CID 112714246) is 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one.
What is the SMILES notation for 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one?
The canonical SMILES for 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one is Cc1cc2c(o1)C(=O)C(C)(C)C2.
What is the InChIKey of 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one?
The InChIKey is IBCBEYBJUVUQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-4-7-5-10(2,3)9(11)8(7)12-6/h4H,5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one?
2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one has a molecular weight of 164.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one is sourced from PubChem (CID 112714246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).