(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione

C20H31NO4 — CID 165360193

IUPAC(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)/C(=C(/C)O)C(=O)[C@H]1CC(C)C
InChIInChI=1S/C20H31NO4/c1-5-6-7-8-9-10-11-12-17(23)21-16(13-14(2)3)19(24)18(15(4)22)20(21)25/h11-12,14,16,22H,5-10,13H2,1-4H3/b12-11+,18-15-/t16-/m1/s1
InChIKeyCHFCOWGEAJLRFJ-YNHPBAALSA-N
MW349.47 g/mol
LogP4.09
Rot. Bonds9

About (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione

(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione (PubChem CID 165360193) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione
PubChem CID165360193
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)/C(=C(/C)O)C(=O)[C@H]1CC(C)C
InChIInChI=1S/C20H31NO4/c1-5-6-7-8-9-10-11-12-17(23)21-16(13-14(2)3)19(24)18(15(4)22)20(21)25/h11-12,14,16,22H,5-10,13H2,1-4H3/b12-11+,18-15-/t16-/m1/s1
InChIKeyCHFCOWGEAJLRFJ-YNHPBAALSA-N
XLogP4.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 10154841
(z)-1-((e)-Dec-2-enoyl)-3-(1-hydroxypentylidene)-5-isobutylpyrrolidine-2,4-dione
CID 129892639
(z)-1-((e)-Dec-2-enoyl)-3-(hydroxy(piperidin-4-yl)methylene)-5-isobutylpyrrolidine-2,4-dione
CID 129892645
(2R)-4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 9884080
1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 11289782
4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 17936449
(3R,5R)-3-acetyl-1-dec-2-enoyl-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 69861244
4-acetyl-1-dec-2-enoyl-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 70185795
4-butanoyl-1-[(E)-dec-2-enoyl]-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
CID 72706005
(5S)-3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 90912390
3-Acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 123851915
(3Z,5S)-1-decyl-3-(1-hydroxyethylidene)-5-propan-2-ylpyrrolidine-2,4-dione
CID 136392086

Frequently Asked Questions

What is the IUPAC name of (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The IUPAC name of (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione (CID 165360193) is (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione.
What is the SMILES notation for (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The canonical SMILES for (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione is CCCCCCC/C=C/C(=O)N1C(=O)/C(=C(/C)O)C(=O)[C@H]1CC(C)C.
What is the InChIKey of (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The InChIKey is CHFCOWGEAJLRFJ-YNHPBAALSA-N. The full InChI is InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-11-12-17(23)21-16(13-14(2)3)19(24)18(15(4)22)20(21)25/h11-12,14,16,22H,5-10,13H2,1-4H3/b12-11+,18-15-/t16-/m1/s1.
What are the key properties of (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione?
(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione has a molecular weight of 349.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 165360193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).