3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione

C17H26N2O3 — CID 167093451

IUPAC3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
SMILESC=C1CC(C)C(=O)N1CCCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H26N2O3/c1-12-10-14(3)18(16(12)21)8-6-4-5-7-9-19-15(20)11-13(2)17(19)22/h12-13H,3-11H2,1-2H3
InChIKeyQHROJGKXZXGMSN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds7

About 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione

3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione (PubChem CID 167093451) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
PubChem CID167093451
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione
SMILESC=C1CC(C)C(=O)N1CCCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H26N2O3/c1-12-10-14(3)18(16(12)21)8-6-4-5-7-9-19-15(20)11-13(2)17(19)22/h12-13H,3-11H2,1-2H3
InChIKeyQHROJGKXZXGMSN-UHFFFAOYSA-N
XLogP2.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
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 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione (CID 167093451) is 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione is C=C1CC(C)C(=O)N1CCCCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
The InChIKey is QHROJGKXZXGMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-10-14(3)18(16(12)21)8-6-4-5-7-9-19-15(20)11-13(2)17(19)22/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione?
3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione has a molecular weight of 306.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[6-(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167093451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).