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

C18H29NO3 — CID 11289782

IUPAC1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1CC(C)C
InChIInChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-11-17(21)19-15(12-14(2)3)16(20)13-18(19)22/h10-11,14-15H,4-9,12-13H2,1-3H3/b11-10+
InChIKeyUJPOHIWFMPOHCK-ZHACJKMWSA-N
MW307.43 g/mol
LogP3.65
Rot. Bonds9

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

1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione (PubChem CID 11289782) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
PubChem CID11289782
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1CC(C)C
InChIInChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-11-17(21)19-15(12-14(2)3)16(20)13-18(19)22/h10-11,14-15H,4-9,12-13H2,1-3H3/b11-10+
InChIKeyUJPOHIWFMPOHCK-ZHACJKMWSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
CID 86010840
3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 10154841
(3Z,5R)-1-[(E)-dec-2-enoyl]-3-(1-hydroxyethylidene)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 165360193
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913
(2R)-4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 9884080
4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 17936449
3-(3-Cyclododecylprop-2-enoyl)-1-methylpyrrolidine-2,4-dione
CID 57109912
(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
(5S)-3-acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 90912390
(5S)-3-acetyl-5-(cyclohexa-1,5-dien-1-ylmethyl)-1-ethylpyrrolidine-2,4-dione
CID 91569698
3-Acetyl-1-(3,7-dimethyloct-6-enyl)-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 123851915

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione (CID 11289782) is 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione is CCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1CC(C)C.
What is the InChIKey of 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The InChIKey is UJPOHIWFMPOHCK-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-5-6-7-8-9-10-11-17(21)19-15(12-14(2)3)16(20)13-18(19)22/h10-11,14-15H,4-9,12-13H2,1-3H3/b11-10+.
What are the key properties of 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione has a molecular weight of 307.43 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 11289782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).