2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine

C49H66N4O4 — CID 160951459

IUPAC2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1=CCOC=C1.C1=CCOCC1.C1=CNCCC1.C1=COCCC1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2
InChIInChI=1S/2C8H9N.C8H8O.2C5H9N.2C5H8O.C5H6O/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1/h2*1-4,9H,5-6H2;1-4H,5-6H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2
InChIKeySVUWUXQGVHSSJD-UHFFFAOYSA-N
MW775.09 g/mol
LogP9.35
Rot. Bonds

About 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine

2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine (PubChem CID 160951459) has the molecular formula C49H66N4O4 and a molecular weight of 775.09 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine
PubChem CID160951459
Molecular FormulaC49H66N4O4
Molecular Weight775.09 g/mol
Exact Mass774.51
IUPAC Name2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1=CCOC=C1.C1=CCOCC1.C1=CNCCC1.C1=COCCC1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2
InChIInChI=1S/2C8H9N.C8H8O.2C5H9N.2C5H8O.C5H6O/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1/h2*1-4,9H,5-6H2;1-4H,5-6H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2
InChIKeySVUWUXQGVHSSJD-UHFFFAOYSA-N
XLogP9.35
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.09
LogP ≤ 59.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine (CID 160951459) is 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine is C1=CCNCC1.C1=CCOC=C1.C1=CCOCC1.C1=CNCCC1.C1=COCCC1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine?
The InChIKey is SVUWUXQGVHSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9N.C8H8O.2C5H9N.2C5H8O.C5H6O/c1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1/h2*1-4,9H,5-6H2;1-4H,5-6H2;2,4,6H,1,3,5H2;1-2,6H,3-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2.
What are the key properties of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine?
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine has a molecular weight of 775.09 g/mol, XLogP of 9.35, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 160951459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).