(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

C16H17NO3 — CID 139120527

IUPAC(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
SMILESCC1=CC(=O)O[C@@H]1[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-9-15(19)20-16(11)13-7-8-14(18)17(13)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3/t13-,16-/m0/s1
InChIKeyKIPPOYWKVDBRMS-BBRMVZONSA-N
MW271.32 g/mol
LogP2.05
Rot. Bonds3

About (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one

(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (PubChem CID 139120527) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
PubChem CID139120527
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
SMILESCC1=CC(=O)O[C@@H]1[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-9-15(19)20-16(11)13-7-8-14(18)17(13)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3/t13-,16-/m0/s1
InChIKeyKIPPOYWKVDBRMS-BBRMVZONSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
Ethyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 563064
[(2S,3R)-1-benzoyl-2-methyl-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 15271140
(S)-(+)-1-Benzyl-5-ethoxycarbonylpyrrolidin-2-one
CID 11064735
(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
CID 11746118
Tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 21576831
Ethyl 1-benzoylpyrrolidine-2-carboxylate
CID 21724460
(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 11713074
[(2R,3S)-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 12172851
(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 134848013
tert-butyl (3Z)-1-benzoyl-3-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate
CID 134918419
propan-2-yl (3aS,6aS)-2-benzyl-1,3-dioxo-6,6a-dihydro-3aH-cyclopenta[c]pyrrole-4-carboxylate
CID 139259926

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one (CID 139120527) is (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is CC1=CC(=O)O[C@@H]1[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
The InChIKey is KIPPOYWKVDBRMS-BBRMVZONSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-9-15(19)20-16(11)13-7-8-14(18)17(13)10-12-5-3-2-4-6-12/h2-6,9,13,16H,7-8,10H2,1H3/t13-,16-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one?
(5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 139120527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).