6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one

C15H17NO2 — CID 3065392

IUPAC6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one
SMILESCN1CC2(C)OC(=O)C=C2CC1c1ccccc1
InChIInChI=1S/C15H17NO2/c1-15-10-16(2)13(11-6-4-3-5-7-11)8-12(15)9-14(17)18-15/h3-7,9,13H,8,10H2,1-2H3
InChIKeyAHGDPJUXWIGSRD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds1

About 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one

6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one (PubChem CID 3065392) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one
PubChem CID3065392
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one
SMILESCN1CC2(C)OC(=O)C=C2CC1c1ccccc1
InChIInChI=1S/C15H17NO2/c1-15-10-16(2)13(11-6-4-3-5-7-11)8-12(15)9-14(17)18-15/h3-7,9,13H,8,10H2,1-2H3
InChIKeyAHGDPJUXWIGSRD-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one?
The IUPAC name of 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one (CID 3065392) is 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one.
What is the SMILES notation for 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one?
The canonical SMILES for 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one is CN1CC2(C)OC(=O)C=C2CC1c1ccccc1.
What is the InChIKey of 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one?
The InChIKey is AHGDPJUXWIGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15-10-16(2)13(11-6-4-3-5-7-11)8-12(15)9-14(17)18-15/h3-7,9,13H,8,10H2,1-2H3.
What are the key properties of 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one?
6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one is sourced from PubChem (CID 3065392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).