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

C24H37NO3 — CID 11486027

IUPAC(4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESC=CC(O)[C@H]1NC(=O)C[C@H]1O[C@@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H37NO3/c1-9-20(26)24-21(12-22(27)25-24)28-16(8)23-18(14(4)5)10-17(13(2)3)11-19(23)15(6)7/h9-11,13-16,20-21,24,26H,1,12H2,2-8H3,(H,25,27)/t16-,20?,21+,24+/m0/s1
InChIKeyVPKSQQIGLKHRRL-GKMUUDQNSA-N
MW387.56 g/mol
LogP4.94
Rot. Bonds8

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

(4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (PubChem CID 11486027) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
PubChem CID11486027
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name(4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESC=CC(O)[C@H]1NC(=O)C[C@H]1O[C@@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C24H37NO3/c1-9-20(26)24-21(12-22(27)25-24)28-16(8)23-18(14(4)5)10-17(13(2)3)11-19(23)15(6)7/h9-11,13-16,20-21,24,26H,1,12H2,2-8H3,(H,25,27)/t16-,20?,21+,24+/m0/s1
InChIKeyVPKSQQIGLKHRRL-GKMUUDQNSA-N
XLogP4.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-but-3-enyl-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
CID 10643833
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-(oxolan-2-yl)acetamide
CID 72133550
(4R,5R)-5-[(S)-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-(4-fluorophenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 58718507
(4S,5R)-5-[(S)-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-(4-fluorophenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 58718528
4-[4-(4-fluorophenyl)-2-[(2S)-2-(phenylmethoxymethyl)hexyl]phenyl]-5-hydroxy-5-[(2S)-pyrrolidin-2-yl]pentanamide
CID 67698849
(4R,5R)-5-prop-2-enyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
CID 101419339
(1R,8R,8aS)-1-[1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-8-tri(propan-2-yl)silyloxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 101419343
(2R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 57553483
(1R,2R,5S,6R)-6-hydroxy-1-methoxy-1-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2,5-dimethyl-6-phenylhexan-3-one
CID 58195240
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-propanoylpyrrolidin-2-yl]propanamide
CID 58490990
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 59306026
(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
CID 59336239

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (CID 11486027) is (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is C=CC(O)[C@H]1NC(=O)C[C@H]1O[C@@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The InChIKey is VPKSQQIGLKHRRL-GKMUUDQNSA-N. The full InChI is InChI=1S/C24H37NO3/c1-9-20(26)24-21(12-22(27)25-24)28-16(8)23-18(14(4)5)10-17(13(2)3)11-19(23)15(6)7/h9-11,13-16,20-21,24,26H,1,12H2,2-8H3,(H,25,27)/t16-,20?,21+,24+/m0/s1.
What are the key properties of (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
(4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one has a molecular weight of 387.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(1-hydroxyprop-2-enyl)-4-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is sourced from PubChem (CID 11486027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).