1,7-dihydropyrano[3,4-b]pyrrole

C7H7NO — CID 57036519

IUPAC1,7-dihydropyrano[3,4-b]pyrrole
SMILESC1=Cc2cc[nH]c2CO1
InChIInChI=1S/C7H7NO/c1-3-8-7-5-9-4-2-6(1)7/h1-4,8H,5H2
InChIKeySTNJQRCLPBLQSW-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.52
Rot. Bonds

About 1,7-dihydropyrano[3,4-b]pyrrole

1,7-dihydropyrano[3,4-b]pyrrole (PubChem CID 57036519) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 1,7-dihydropyrano[3,4-b]pyrrole.

Molecular Properties

Compound Name1,7-dihydropyrano[3,4-b]pyrrole
PubChem CID57036519
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name1,7-dihydropyrano[3,4-b]pyrrole
SMILESC1=Cc2cc[nH]c2CO1
InChIInChI=1S/C7H7NO/c1-3-8-7-5-9-4-2-6(1)7/h1-4,8H,5H2
InChIKeySTNJQRCLPBLQSW-UHFFFAOYSA-N
XLogP1.52
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrano[3,4-b]pyrrole?
The IUPAC name of 1,7-dihydropyrano[3,4-b]pyrrole (CID 57036519) is 1,7-dihydropyrano[3,4-b]pyrrole.
What is the SMILES notation for 1,7-dihydropyrano[3,4-b]pyrrole?
The canonical SMILES for 1,7-dihydropyrano[3,4-b]pyrrole is C1=Cc2cc[nH]c2CO1.
What is the InChIKey of 1,7-dihydropyrano[3,4-b]pyrrole?
The InChIKey is STNJQRCLPBLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-3-8-7-5-9-4-2-6(1)7/h1-4,8H,5H2.
What are the key properties of 1,7-dihydropyrano[3,4-b]pyrrole?
1,7-dihydropyrano[3,4-b]pyrrole has a molecular weight of 121.14 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrano[3,4-b]pyrrole is sourced from PubChem (CID 57036519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).