(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one

C17H21NO3 — CID 100967043

IUPAC(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
SMILESCC1(C)OC[C@H]([C@H]2CC(=O)C=CN2Cc2ccccc2)O1
InChIInChI=1S/C17H21NO3/c1-17(2)20-12-16(21-17)15-10-14(19)8-9-18(15)11-13-6-4-3-5-7-13/h3-9,15-16H,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyIMKBELUENDEZMJ-HZPDHXFCSA-N
MW287.36 g/mol
LogP2.50
Rot. Bonds3

About (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one

(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one (PubChem CID 100967043) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
PubChem CID100967043
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
SMILESCC1(C)OC[C@H]([C@H]2CC(=O)C=CN2Cc2ccccc2)O1
InChIInChI=1S/C17H21NO3/c1-17(2)20-12-16(21-17)15-10-14(19)8-9-18(15)11-13-6-4-3-5-7-13/h3-9,15-16H,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyIMKBELUENDEZMJ-HZPDHXFCSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one with MolForge

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Related Compounds

(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
CID 10912813
2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-1,2-oxazolidin-5-one
CID 85300293
1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 12787406
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
benzyl 3,3-dimethyl-2,4-dioxabicyclo[4.2.0]octane-7-carboxylate
CID 170055279
2-[(4aS,6R,8aR)-5-benzyl-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridin-6-yl]acetaldehyde
CID 10733251
(2R)-1-benzyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-2,5-dihydropyrrole
CID 101016406
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoxazinane
CID 135011069
[(3S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydrooxazin-4-yl] dimethyl phosphate
CID 102529006
benzyl-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamic acid
CID 56986144
(3E,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-phenylprop-2-ynylidene)azetidin-2-one
CID 66574015
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one?
The IUPAC name of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one (CID 100967043) is (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one?
The canonical SMILES for (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one is CC1(C)OC[C@H]([C@H]2CC(=O)C=CN2Cc2ccccc2)O1.
What is the InChIKey of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one?
The InChIKey is IMKBELUENDEZMJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2)20-12-16(21-17)15-10-14(19)8-9-18(15)11-13-6-4-3-5-7-13/h3-9,15-16H,10-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one?
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 100967043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).