1-(6-methoxyhexyl)pyrrole-2,5-dione

C11H17NO3 — CID 118460814

IUPAC1-(6-methoxyhexyl)pyrrole-2,5-dione
SMILESCOCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-15-9-5-3-2-4-8-12-10(13)6-7-11(12)14/h6-7H,2-5,8-9H2,1H3
InChIKeyIHRSMKACMSFDJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds7

About 1-(6-methoxyhexyl)pyrrole-2,5-dione

1-(6-methoxyhexyl)pyrrole-2,5-dione (PubChem CID 118460814) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(6-methoxyhexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(6-methoxyhexyl)pyrrole-2,5-dione
PubChem CID118460814
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(6-methoxyhexyl)pyrrole-2,5-dione
SMILESCOCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-15-9-5-3-2-4-8-12-10(13)6-7-11(12)14/h6-7H,2-5,8-9H2,1H3
InChIKeyIHRSMKACMSFDJO-UHFFFAOYSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyhexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(6-methoxyhexyl)pyrrole-2,5-dione (CID 118460814) is 1-(6-methoxyhexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(6-methoxyhexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(6-methoxyhexyl)pyrrole-2,5-dione is COCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(6-methoxyhexyl)pyrrole-2,5-dione?
The InChIKey is IHRSMKACMSFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-9-5-3-2-4-8-12-10(13)6-7-11(12)14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 1-(6-methoxyhexyl)pyrrole-2,5-dione?
1-(6-methoxyhexyl)pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyhexyl)pyrrole-2,5-dione is sourced from PubChem (CID 118460814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).