2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile

C11H17N3O — CID 80581622

IUPAC2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile
SMILESCn1ccn(CCCC(C)(C)C#N)c1=O
InChIInChI=1S/C11H17N3O/c1-11(2,9-12)5-4-6-14-8-7-13(3)10(14)15/h7-8H,4-6H2,1-3H3
InChIKeyOOWHZTOEOVJESY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds4

About 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile

2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile (PubChem CID 80581622) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile
PubChem CID80581622
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile
SMILESCn1ccn(CCCC(C)(C)C#N)c1=O
InChIInChI=1S/C11H17N3O/c1-11(2,9-12)5-4-6-14-8-7-13(3)10(14)15/h7-8H,4-6H2,1-3H3
InChIKeyOOWHZTOEOVJESY-UHFFFAOYSA-N
XLogP1.52
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile (CID 80581622) is 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile is Cn1ccn(CCCC(C)(C)C#N)c1=O.
What is the InChIKey of 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile?
The InChIKey is OOWHZTOEOVJESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,9-12)5-4-6-14-8-7-13(3)10(14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile?
2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile has a molecular weight of 207.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-methyl-2-oxoimidazol-1-yl)pentanenitrile is sourced from PubChem (CID 80581622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).