3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one

C8H8O3 — CID 91619356

IUPAC3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one
SMILESCC1=C2CCOC=C2OC1=O
InChIInChI=1S/C8H8O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h4H,2-3H2,1H3
InChIKeyKPGYWPOMHCAWDR-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.12
Rot. Bonds

About 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one

3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one (PubChem CID 91619356) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one
PubChem CID91619356
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one
SMILESCC1=C2CCOC=C2OC1=O
InChIInChI=1S/C8H8O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h4H,2-3H2,1H3
InChIKeyKPGYWPOMHCAWDR-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The IUPAC name of 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one (CID 91619356) is 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one.
What is the SMILES notation for 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The canonical SMILES for 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one is CC1=C2CCOC=C2OC1=O.
What is the InChIKey of 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The InChIKey is KPGYWPOMHCAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one has a molecular weight of 152.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydrofuro[2,3-c]pyran-2-one is sourced from PubChem (CID 91619356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).