1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione

C16H25NO4 — CID 155797107

IUPAC1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)CCCCCC(O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H25NO4/c1-12(2)14(19)7-5-3-4-6-13(18)10-11-17-15(20)8-9-16(17)21/h13,18H,1,3-11H2,2H3
InChIKeyPZZWNWWJFOBSPR-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.98
Rot. Bonds10

About 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione

1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione (PubChem CID 155797107) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione
PubChem CID155797107
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)CCCCCC(O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H25NO4/c1-12(2)14(19)7-5-3-4-6-13(18)10-11-17-15(20)8-9-16(17)21/h13,18H,1,3-11H2,2H3
InChIKeyPZZWNWWJFOBSPR-UHFFFAOYSA-N
XLogP1.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2,10-dimethylundeca-1,10-diene-3,9-dione
CID 159462931
1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 129291336
1-[6,6-bis(sulfanyl)hexyl]pyrrolidine-2,5-dione
CID 87475138
2-methylnonadec-1-en-3-one
CID 150628128
2-methyltridec-1-en-3-one
CID 91110358
2-methylhentriacont-1-en-3-one
CID 153436335
(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid
CID 87630987
ethane;2-methyldodec-1-en-3-one
CID 143443601
(8-methyl-7-oxonon-8-en-2-yl) acetate
CID 118877704
(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
CID 118184263
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione (CID 155797107) is 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione is C=C(C)C(=O)CCCCCC(O)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione?
The InChIKey is PZZWNWWJFOBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)14(19)7-5-3-4-6-13(18)10-11-17-15(20)8-9-16(17)21/h13,18H,1,3-11H2,2H3.
What are the key properties of 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione?
1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione has a molecular weight of 295.38 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-10-methyl-9-oxoundec-10-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155797107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).