1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione

C17H27NO3 — CID 178076696

IUPAC1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1C(C)C
InChIInChI=1S/C17H27NO3/c1-4-5-6-7-8-9-10-11-15(20)18-16(21)12-14(19)17(18)13(2)3/h10-11,13,17H,4-9,12H2,1-3H3/b11-10+
InChIKeyBPEUCHGGHZVMDK-ZHACJKMWSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds8

About 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione

1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 178076696) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione
PubChem CID178076696
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione
SMILESCCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1C(C)C
InChIInChI=1S/C17H27NO3/c1-4-5-6-7-8-9-10-11-15(20)18-16(21)12-14(19)17(18)13(2)3/h10-11,13,17H,4-9,12H2,1-3H3/b11-10+
InChIKeyBPEUCHGGHZVMDK-ZHACJKMWSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
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

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
(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
1-heptyl-5-[(E)-3-oxooct-1-enyl]pyrrolidin-2-one
CID 21854874
3-(3-Cyclododecylprop-2-enoyl)-1-methylpyrrolidine-2,4-dione
CID 57109912
1-[(Z)-hept-2-enyl]-5-[(E)-3-oxooct-1-enyl]pyrrolidin-2-one
CID 68235764
5,7-Dimethyl-1-pentyl-7,7a-dihydroindole-2,3-dione
CID 69164901
1-(3-Methylpentyl)-7,7a-dihydroindole-2,3-dione
CID 69166192
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione (CID 178076696) is 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione is CCCCCCC/C=C/C(=O)N1C(=O)CC(=O)C1C(C)C.
What is the InChIKey of 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is BPEUCHGGHZVMDK-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-6-7-8-9-10-11-15(20)18-16(21)12-14(19)17(18)13(2)3/h10-11,13,17H,4-9,12H2,1-3H3/b11-10+.
What are the key properties of 1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione?
1-[(E)-dec-2-enoyl]-5-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 3.26, 8 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-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 178076696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).