2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile

C16H18N2O2 — CID 75392464

IUPAC2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
SMILESCC1CC(=O)N(Cc2ccccc2C(C)(C)C#N)C1=O
InChIInChI=1S/C16H18N2O2/c1-11-8-14(19)18(15(11)20)9-12-6-4-5-7-13(12)16(2,3)10-17/h4-7,11H,8-9H2,1-3H3
InChIKeyGIKNKNMJPBXCOX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile

2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile (PubChem CID 75392464) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
PubChem CID75392464
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
SMILESCC1CC(=O)N(Cc2ccccc2C(C)(C)C#N)C1=O
InChIInChI=1S/C16H18N2O2/c1-11-8-14(19)18(15(11)20)9-12-6-4-5-7-13(12)16(2,3)10-17/h4-7,11H,8-9H2,1-3H3
InChIKeyGIKNKNMJPBXCOX-UHFFFAOYSA-N
XLogP2.38
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile (CID 75392464) is 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile is CC1CC(=O)N(Cc2ccccc2C(C)(C)C#N)C1=O.
What is the InChIKey of 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile?
The InChIKey is GIKNKNMJPBXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-14(19)18(15(11)20)9-12-6-4-5-7-13(12)16(2,3)10-17/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile?
2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile has a molecular weight of 270.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile is sourced from PubChem (CID 75392464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).