1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione

C11H19NO2 — CID 134199523

IUPAC1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
SMILESCCCC(C)(CC)N1C(=O)CCC1=O
InChIInChI=1S/C11H19NO2/c1-4-8-11(3,5-2)12-9(13)6-7-10(12)14/h4-8H2,1-3H3
InChIKeyLNFOEXSTAOJRMY-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione

1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione (PubChem CID 134199523) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
PubChem CID134199523
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
SMILESCCCC(C)(CC)N1C(=O)CCC1=O
InChIInChI=1S/C11H19NO2/c1-4-8-11(3,5-2)12-9(13)6-7-10(12)14/h4-8H2,1-3H3
InChIKeyLNFOEXSTAOJRMY-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione (CID 134199523) is 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione is CCCC(C)(CC)N1C(=O)CCC1=O.
What is the InChIKey of 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione?
The InChIKey is LNFOEXSTAOJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-8-11(3,5-2)12-9(13)6-7-10(12)14/h4-8H2,1-3H3.
What are the key properties of 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione?
1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione has a molecular weight of 197.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134199523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).