(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate

C19H26N2O6 — CID 5091658

IUPAC(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
SMILESO=C(CCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-11H,1-9,12-14H2
InChIKeySGNVTRHWJGTNKV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.03
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate

(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate (PubChem CID 5091658) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
PubChem CID5091658
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
SMILESO=C(CCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-11H,1-9,12-14H2
InChIKeySGNVTRHWJGTNKV-UHFFFAOYSA-N
XLogP2.03
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate (CID 5091658) is (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate is O=C(CCCCCCCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
The InChIKey is SGNVTRHWJGTNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-11H,1-9,12-14H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate?
(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate has a molecular weight of 378.43 g/mol, XLogP of 2.03, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate is sourced from PubChem (CID 5091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).