4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one

C10H12O2 — CID 72775201

IUPAC4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one
SMILESCC1=COC(=O)C2C(C)=CCC12
InChIInChI=1S/C10H12O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h3,5,8-9H,4H2,1-2H3
InChIKeyLWGQRLJHRLKQNN-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.03
Rot. Bonds

About 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one

4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one (PubChem CID 72775201) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one.

Molecular Properties

Compound Name4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one
PubChem CID72775201
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one
SMILESCC1=COC(=O)C2C(C)=CCC12
InChIInChI=1S/C10H12O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h3,5,8-9H,4H2,1-2H3
InChIKeyLWGQRLJHRLKQNN-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,4aS)-4,7-dimethyl-4a,5-dihydro-4H-cyclopenta[c]pyran-3-one
CID 101410317
3-Cyclohexene-1-carboxylic acid, 3-methyl-, methyl ester
CID 10909785
Methyl 2-methylcyclohex-3-ene-1-carboxylate
CID 13062703
Methyl 6-methylcyclohex-3-ene-1-carboxylate
CID 3017327
Ethyl 2-methylcyclopent-2-ene-1-carboxylate
CID 11480557
Methyl (1R,2R)-2-methylcyclohex-3-ene-1-carboxylate
CID 13062704
Sarpong101
CID 122228707
methyl (1R,2S)-2-methylcyclohex-3-ene-1-carboxylate
CID 134979458
cis-1-Carbomethoxy-2-methylcyclohex-3-ene
CID 11008136
trans-Carbomethoxy-2-methylcyclohex-3-ene
CID 91749203
4,7-Dimethyl-4a,5-dihydrocyclopenta[c]pyran-3(4H)-one
CID 556386
2-Cyclopentene-1-carboxylic acid, 3,4-dimethyl-, methyl ester
CID 565534

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one?
The IUPAC name of 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one (CID 72775201) is 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one.
What is the SMILES notation for 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one?
The canonical SMILES for 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one is CC1=COC(=O)C2C(C)=CCC12.
What is the InChIKey of 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one?
The InChIKey is LWGQRLJHRLKQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h3,5,8-9H,4H2,1-2H3.
What are the key properties of 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one?
4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one has a molecular weight of 164.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5,7a-dihydro-4aH-cyclopenta[c]pyran-1-one is sourced from PubChem (CID 72775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).