6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one

C16H19NO2 — CID 13494418

IUPAC6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one
SMILESC=C1C(=O)OC2(C)CN(C)C(c3ccccc3)CC12
InChIInChI=1S/C16H19NO2/c1-11-13-9-14(12-7-5-4-6-8-12)17(3)10-16(13,2)19-15(11)18/h4-8,13-14H,1,9-10H2,2-3H3
InChIKeyKWAFPAXUOFTRRO-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.55
Rot. Bonds1

About 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one

6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one (PubChem CID 13494418) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one
PubChem CID13494418
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one
SMILESC=C1C(=O)OC2(C)CN(C)C(c3ccccc3)CC12
InChIInChI=1S/C16H19NO2/c1-11-13-9-14(12-7-5-4-6-8-12)17(3)10-16(13,2)19-15(11)18/h4-8,13-14H,1,9-10H2,2-3H3
InChIKeyKWAFPAXUOFTRRO-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one?
The IUPAC name of 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one (CID 13494418) is 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one.
What is the SMILES notation for 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one?
The canonical SMILES for 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one is C=C1C(=O)OC2(C)CN(C)C(c3ccccc3)CC12.
What is the InChIKey of 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one?
The InChIKey is KWAFPAXUOFTRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-13-9-14(12-7-5-4-6-8-12)17(3)10-16(13,2)19-15(11)18/h4-8,13-14H,1,9-10H2,2-3H3.
What are the key properties of 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one?
6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7a-dimethyl-3-methylidene-5-phenyl-3a,4,5,7-tetrahydrofuro[2,3-c]pyridin-2-one is sourced from PubChem (CID 13494418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).