4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde

C9H10O3 — CID 130035110

IUPAC4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde
SMILESCC1(C=O)C=CC2OC(=O)CC21
InChIInChI=1S/C9H10O3/c1-9(5-10)3-2-7-6(9)4-8(11)12-7/h2-3,5-7H,4H2,1H3
InChIKeyUKPUEDWHYHAQOO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.69
Rot. Bonds1

About 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde

4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde (PubChem CID 130035110) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde
PubChem CID130035110
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde
SMILESCC1(C=O)C=CC2OC(=O)CC21
InChIInChI=1S/C9H10O3/c1-9(5-10)3-2-7-6(9)4-8(11)12-7/h2-3,5-7H,4H2,1H3
InChIKeyUKPUEDWHYHAQOO-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one
CID 100954291
(1S,4R,5R)-4-bromo-5-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
CID 15669178
(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11400761
6,6a-dihydro-3aH-furo[3,2-b]furan-5-one
CID 67281853
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 10464494
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
1,3,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 175145717
(1R,4aR,4bR,10aR,10bS,12aS)-1-acetyl-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-1H-naphtho[2,1-f]isochromene-3,8-dione
CID 124858250
ethyl (3aS,4S,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-carboxylate
CID 11356042
(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)spiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4,5'-furan]-2,2'-dione
CID 10926774
(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde (CID 130035110) is 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde is CC1(C=O)C=CC2OC(=O)CC21.
What is the InChIKey of 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde?
The InChIKey is UKPUEDWHYHAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-9(5-10)3-2-7-6(9)4-8(11)12-7/h2-3,5-7H,4H2,1H3.
What are the key properties of 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde?
4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 130035110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).