7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one

C9H10O2 — CID 11457774

IUPAC7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one
SMILESCC12CCC=C1C=CC(=O)O2
InChIInChI=1S/C9H10O2/c1-9-6-2-3-7(9)4-5-8(10)11-9/h3-5H,2,6H2,1H3
InChIKeySUNKNZGKVRFPIQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

About 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one

7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one (PubChem CID 11457774) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one
PubChem CID11457774
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one
SMILESCC12CCC=C1C=CC(=O)O2
InChIInChI=1S/C9H10O2/c1-9-6-2-3-7(9)4-5-8(10)11-9/h3-5H,2,6H2,1H3
InChIKeySUNKNZGKVRFPIQ-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one?
The IUPAC name of 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one (CID 11457774) is 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one.
What is the SMILES notation for 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one?
The canonical SMILES for 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one is CC12CCC=C1C=CC(=O)O2.
What is the InChIKey of 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one?
The InChIKey is SUNKNZGKVRFPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-9-6-2-3-7(9)4-5-8(10)11-9/h3-5H,2,6H2,1H3.
What are the key properties of 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one?
7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-6,7-dihydrocyclopenta[b]pyran-2-one is sourced from PubChem (CID 11457774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).