1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione

C16H25NO3 — CID 89003949

IUPAC1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione
SMILESC=C(O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO3/c1-14(18)10-8-6-4-2-3-5-7-9-13-17-15(19)11-12-16(17)20/h11-12,18H,1-10,13H2
InChIKeyWJDNYUJJXUWRQJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.49
Rot. Bonds11

About 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione

1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione (PubChem CID 89003949) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione
PubChem CID89003949
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione
SMILESC=C(O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO3/c1-14(18)10-8-6-4-2-3-5-7-9-13-17-15(19)11-12-16(17)20/h11-12,18H,1-10,13H2
InChIKeyWJDNYUJJXUWRQJ-UHFFFAOYSA-N
XLogP3.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(9-Hydroxynonyl)pyrrole-2,5-dione
CID 68659959
1-(10-Hydroxy-decyl)-pyrrole-2,5-dione
CID 68660027
1-(8-Hydroxyoctyl)pyrrole-2,5-dione
CID 68660046
1-(11-Hydroxyundecyl)pyrrole-2,5-dione
CID 130192571
1-(13-Hydroxytridecyl)pyrrole-2,5-dione
CID 130193990
1-(1-Hydroxydodecyl)pyrrole-2,5-dione
CID 175447701
1-Undec-10-enylpyrrole-2,5-dione
CID 86066335
(Z)-N-ethyl-N-(6-hydroxyhept-6-enyl)but-2-enamide
CID 176555856

Frequently Asked Questions

What is the IUPAC name of 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione?
The IUPAC name of 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione (CID 89003949) is 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione is C=C(O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione?
The InChIKey is WJDNYUJJXUWRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-14(18)10-8-6-4-2-3-5-7-9-13-17-15(19)11-12-16(17)20/h11-12,18H,1-10,13H2.
What are the key properties of 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione?
1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione has a molecular weight of 279.38 g/mol, XLogP of 3.49, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-hydroxydodec-11-enyl)pyrrole-2,5-dione is sourced from PubChem (CID 89003949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).