4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one

C7H7NO2 — CID 55299186

IUPAC4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one
SMILESO=C1OCCc2cc[nH]c21
InChIInChI=1S/C7H7NO2/c9-7-6-5(1-3-8-6)2-4-10-7/h1,3,8H,2,4H2
InChIKeyGGCHOXAZSLTWIP-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.73
Rot. Bonds

About 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one

4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one (PubChem CID 55299186) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one
PubChem CID55299186
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one
SMILESO=C1OCCc2cc[nH]c21
InChIInChI=1S/C7H7NO2/c9-7-6-5(1-3-8-6)2-4-10-7/h1,3,8H,2,4H2
InChIKeyGGCHOXAZSLTWIP-UHFFFAOYSA-N
XLogP0.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one?
The IUPAC name of 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one (CID 55299186) is 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one.
What is the SMILES notation for 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one?
The canonical SMILES for 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one is O=C1OCCc2cc[nH]c21.
What is the InChIKey of 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one?
The InChIKey is GGCHOXAZSLTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-7-6-5(1-3-8-6)2-4-10-7/h1,3,8H,2,4H2.
What are the key properties of 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one?
4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one has a molecular weight of 137.14 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrano[3,4-b]pyrrol-7-one is sourced from PubChem (CID 55299186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).