(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one

C24H37NO2 — CID 101419339

IUPAC(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESC=CC[C@H]1NC(=O)C[C@H]1OC(C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H37NO2/c1-9-10-21-22(13-23(26)25-21)27-17(8)24-19(15(4)5)11-18(14(2)3)12-20(24)16(6)7/h9,11-12,14-17,21-22H,1,10,13H2,2-8H3,(H,25,26)/t17?,21-,22-/m1/s1
InChIKeyFORVSEMWMMWRLV-TWBYEDGTSA-N
MW371.57 g/mol
LogP5.97
Rot. Bonds8

About (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one

(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (PubChem CID 101419339) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
PubChem CID101419339
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESC=CC[C@H]1NC(=O)C[C@H]1OC(C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H37NO2/c1-9-10-21-22(13-23(26)25-21)27-17(8)24-19(15(4)5)11-18(14(2)3)12-20(24)16(6)7/h9,11-12,14-17,21-22H,1,10,13H2,2-8H3,(H,25,26)/t17?,21-,22-/m1/s1
InChIKeyFORVSEMWMMWRLV-TWBYEDGTSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one with MolForge

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Related Compounds

(4-Tert-butyl-2,6-dimethylphenyl)methyl 5-oxopyrrolidine-2-carboxylate
CID 2998411
N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
CID 10872865
(4S,5S)-5-but-3-enyl-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
CID 10643833
(1R,8aS)-1-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 15458255
1-[2-(2,5-Dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-4-ylpropan-1-one
CID 120150956
[(1S,2R)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]-1-phenylpropyl] 2,2,2-trifluoroacetate
CID 117668338
ethane;N-[[5-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pentanamide;toluene
CID 143454307
(2S)-N-[(E)-4-aminobut-2-enyl]-3-(3,3-difluoro-1H-2-benzofuran-5-yl)-2-methoxypropanamide
CID 156899565
N-[(E)-4-aminobut-2-enyl]-3-(3,3-difluoro-1H-2-benzofuran-5-yl)-2-methoxypropanamide
CID 166794462
N-(4-aminobut-2-enyl)-3-(3,3-difluoro-1H-2-benzofuran-5-yl)-2-methoxypropanamide
CID 166794464
N-[(3R,5S)-2-oxo-5-phenyloxolan-3-yl]dodecanamide
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CID 135016220
CID 135016220

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (CID 101419339) is (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is C=CC[C@H]1NC(=O)C[C@H]1OC(C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The InChIKey is FORVSEMWMMWRLV-TWBYEDGTSA-N. The full InChI is InChI=1S/C24H37NO2/c1-9-10-21-22(13-23(26)25-21)27-17(8)24-19(15(4)5)11-18(14(2)3)12-20(24)16(6)7/h9,11-12,14-17,21-22H,1,10,13H2,2-8H3,(H,25,26)/t17?,21-,22-/m1/s1.
What are the key properties of (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one has a molecular weight of 371.57 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is sourced from PubChem (CID 101419339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).