(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione

C16H25NO4 — CID 54719386

IUPAC(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione
SMILESCCCCCCCCC/C(O)=C1/C(=O)CN(C(C)=O)C1=O
InChIInChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-10-13(19)15-14(20)11-17(12(2)18)16(15)21/h19H,3-11H2,1-2H3/b15-13+
InChIKeySXLASWCIPWMJLA-FYWRMAATSA-N
MW295.38 g/mol
LogP2.90
Rot. Bonds8

About (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione

(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione (PubChem CID 54719386) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione
PubChem CID54719386
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione
SMILESCCCCCCCCC/C(O)=C1/C(=O)CN(C(C)=O)C1=O
InChIInChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-10-13(19)15-14(20)11-17(12(2)18)16(15)21/h19H,3-11H2,1-2H3/b15-13+
InChIKeySXLASWCIPWMJLA-FYWRMAATSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.90
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

(3Z)-3-[2-(2-bicyclo[2.2.1]heptanyl)-1-hydroxyethylidene]-1-heptanoylpyrrolidine-2,4-dione
CID 118459164
2-(1-hydroxytetradecylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 3850145
2-(1-hydroxynonadecylidene)-5-methylcyclohexane-1,3-dione
CID 11069535
(3Z)-3-(1-hydroxytetradecylidene)oxolane-2,4-dione
CID 86276225
3-(1-hydroxydecylidene)-6-methyloxane-2,4-dione
CID 71325757
barium(2+);octadecanoic acid
CID 23045344
3-(1-hydroxyhexadec-9-enylidene)oxolane-2,4-dione
CID 67856983
(3E,6R)-3-(1-hydroxydodecylidene)-6-propyloxane-2,4-dione
CID 122407202
(3Z)-3-(1-hydroxytetradecylidene)-6-propyloxane-2,4-dione
CID 54713804
(3E)-3-[(Z)-1-hydroxyoctadec-9-enylidene]thiolane-2,4-dione
CID 135921841
1-hexanoyl-3-(1-hydroxypropan-2-ylidene)azetidin-2-one
CID 70411372
acetic acid;decane
CID 172853582

Frequently Asked Questions

What is the IUPAC name of (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione?
The IUPAC name of (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione (CID 54719386) is (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione.
What is the SMILES notation for (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione?
The canonical SMILES for (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione is CCCCCCCCC/C(O)=C1/C(=O)CN(C(C)=O)C1=O.
What is the InChIKey of (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione?
The InChIKey is SXLASWCIPWMJLA-FYWRMAATSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-10-13(19)15-14(20)11-17(12(2)18)16(15)21/h19H,3-11H2,1-2H3/b15-13+.
What are the key properties of (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione?
(3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-acetyl-3-(1-hydroxydecylidene)pyrrolidine-2,4-dione is sourced from PubChem (CID 54719386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).