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

C20H31NO4 — CID 10154840

IUPAC(5R)-3-acetyl-1-[(E)-dec-2-enoyl]-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/h11-12,14,16,18H,5-10,13H2,1-4H3/b12-11+/t16-,18?/m1/s1
InChIKeyQKIQGOCADYVRNG-RLZPZVBJSA-N
MW349.47 g/mol
LogP3.46
Rot. Bonds10

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

(5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione (PubChem CID 10154840) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
PubChem CID10154840
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name(5R)-3-acetyl-1-[(E)-dec-2-enoyl]-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/h11-12,14,16,18H,5-10,13H2,1-4H3/b12-11+/t16-,18?/m1/s1
InChIKeyQKIQGOCADYVRNG-RLZPZVBJSA-N
XLogP3.46
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The IUPAC name of (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione (CID 10154840) is (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione.
What is the SMILES notation for (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The canonical SMILES for (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-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 (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
The InChIKey is QKIQGOCADYVRNG-RLZPZVBJSA-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/h11-12,14,16,18H,5-10,13H2,1-4H3/b12-11+/t16-,18?/m1/s1.
What are the key properties of (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione?
(5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione has a molecular weight of 349.47 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 10154840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).