(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one

C16H19NO3 — CID 11821779

IUPAC(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one
SMILESCC1(C)OC[C@H]([C@H]2C=CC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H19NO3/c1-16(2)19-11-14(20-16)13-8-9-15(18)17(13)10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyOJZQRJBZEXEHIL-ZIAGYGMSSA-N
MW273.33 g/mol
LogP2.11
Rot. Bonds3

About (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one

(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one (PubChem CID 11821779) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one
PubChem CID11821779
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one
SMILESCC1(C)OC[C@H]([C@H]2C=CC(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C16H19NO3/c1-16(2)19-11-14(20-16)13-8-9-15(18)17(13)10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyOJZQRJBZEXEHIL-ZIAGYGMSSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-enyl]-2,2,2-trifluoroacetamide
CID 134881147
(3aS,4R,6aR)-5-benzyl-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11345972
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 59098999
(2E,4E)-1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]hexa-2,4-dien-1-one
CID 10912624
(3aS,4S,6R,6aR)-5-benzyl-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10989425
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]hydroxylamine
CID 11065282
N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]hydroxylamine
CID 11076292
(2S)-1-benzyl-4-methoxy-2-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]-2,3-dihydropyridin-6-one
CID 14133093
1'-benzylspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinoline]-2'-one
CID 14846971
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]-N-prop-2-enylbut-3-en-1-amine
CID 56651054
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 56651055
(E,4S)-4-(dibenzylamino)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxybut-2-enal
CID 134835855

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one (CID 11821779) is (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one is CC1(C)OC[C@H]([C@H]2C=CC(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one?
The InChIKey is OJZQRJBZEXEHIL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2)19-11-14(20-16)13-8-9-15(18)17(13)10-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one?
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-pyrrol-5-one has a molecular weight of 273.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]-2H-pyrrol-5-one is sourced from PubChem (CID 11821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).