5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione

C14H15NO3 — CID 83851213

IUPAC5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
SMILESO=C1OC(=O)C2CN(Cc3ccccc3)CCC12
InChIInChI=1S/C14H15NO3/c16-13-11-6-7-15(9-12(11)14(17)18-13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyWMNARVXMYCFNOV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds2

About 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione

5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione (PubChem CID 83851213) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
PubChem CID83851213
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
SMILESO=C1OC(=O)C2CN(Cc3ccccc3)CCC12
InChIInChI=1S/C14H15NO3/c16-13-11-6-7-15(9-12(11)14(17)18-13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyWMNARVXMYCFNOV-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
CID 58171508
CID 58171508
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
CID 83851212
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(4aR)-6-benzyl-3,4,4a,5,7,8-hexahydropyrazino[1,2-c]oxathiazine 1,1-dioxide
CID 134265720
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione (CID 83851213) is 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione is O=C1OC(=O)C2CN(Cc3ccccc3)CCC12.
What is the InChIKey of 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The InChIKey is WMNARVXMYCFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13-11-6-7-15(9-12(11)14(17)18-13)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 83851213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).