1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone

C20H19NO2 — CID 46218459

IUPAC1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESC=C(c1ccccc1)[C@H]1OC(C)=C(C(C)=O)[C@@H]1c1ccncc1
InChIInChI=1S/C20H19NO2/c1-13(16-7-5-4-6-8-16)20-19(17-9-11-21-12-10-17)18(14(2)22)15(3)23-20/h4-12,19-20H,1H2,2-3H3/t19-,20+/m0/s1
InChIKeyQBFDQRAZUIEUSU-VQTJNVASSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds4

About 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone

1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 46218459) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID46218459
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESC=C(c1ccccc1)[C@H]1OC(C)=C(C(C)=O)[C@@H]1c1ccncc1
InChIInChI=1S/C20H19NO2/c1-13(16-7-5-4-6-8-16)20-19(17-9-11-21-12-10-17)18(14(2)22)15(3)23-20/h4-12,19-20H,1H2,2-3H3/t19-,20+/m0/s1
InChIKeyQBFDQRAZUIEUSU-VQTJNVASSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone with MolForge

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Related Compounds

1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
CID 11151361
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
CID 102486020
1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-nitrophenyl)-2,3-dihydrofuran-4-yl]ethanone
CID 11484926
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
benzamide;pyridine-4-carboxamide
CID 175267661
2-methylidene-1-phenylbutane-1,3-dione
CID 11344281
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone (CID 46218459) is 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone is C=C(c1ccccc1)[C@H]1OC(C)=C(C(C)=O)[C@@H]1c1ccncc1.
What is the InChIKey of 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is QBFDQRAZUIEUSU-VQTJNVASSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(16-7-5-4-6-8-16)20-19(17-9-11-21-12-10-17)18(14(2)22)15(3)23-20/h4-12,19-20H,1H2,2-3H3/t19-,20+/m0/s1.
What are the key properties of 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone?
1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 46218459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).