2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

C14H13N3O3 — CID 60778781

IUPAC2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)C(C)(C)C#N)cc2C1=O
InChIInChI=1S/C14H13N3O3/c1-14(2,7-15)13(20)16-8-4-5-9-10(6-8)12(19)17(3)11(9)18/h4-6H,1-3H3,(H,16,20)
InChIKeyGUJCDZVUZZUDLV-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.40
Rot. Bonds2

About 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 60778781) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID60778781
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)C(C)(C)C#N)cc2C1=O
InChIInChI=1S/C14H13N3O3/c1-14(2,7-15)13(20)16-8-4-5-9-10(6-8)12(19)17(3)11(9)18/h4-6H,1-3H3,(H,16,20)
InChIKeyGUJCDZVUZZUDLV-UHFFFAOYSA-N
XLogP1.40
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 60778781) is 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CN1C(=O)c2ccc(NC(=O)C(C)(C)C#N)cc2C1=O.
What is the InChIKey of 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is GUJCDZVUZZUDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-14(2,7-15)13(20)16-8-4-5-9-10(6-8)12(19)17(3)11(9)18/h4-6H,1-3H3,(H,16,20).
What are the key properties of 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 60778781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).