2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide

C9H11N3O2 — CID 12707168

IUPAC2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
SMILESCC(C#N)C(=O)N(C)C(=O)C(C)C#N
InChIInChI=1S/C9H11N3O2/c1-6(4-10)8(13)12(3)9(14)7(2)5-11/h6-7H,1-3H3
InChIKeyODBIWHFZTZHMSR-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.29
Rot. Bonds2

About 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide

2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide (PubChem CID 12707168) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
PubChem CID12707168
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
SMILESCC(C#N)C(=O)N(C)C(=O)C(C)C#N
InChIInChI=1S/C9H11N3O2/c1-6(4-10)8(13)12(3)9(14)7(2)5-11/h6-7H,1-3H3
InChIKeyODBIWHFZTZHMSR-UHFFFAOYSA-N
XLogP0.29
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide?
The IUPAC name of 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide (CID 12707168) is 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide is CC(C#N)C(=O)N(C)C(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide?
The InChIKey is ODBIWHFZTZHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(4-10)8(13)12(3)9(14)7(2)5-11/h6-7H,1-3H3.
What are the key properties of 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide?
2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide has a molecular weight of 193.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide is sourced from PubChem (CID 12707168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).