2-cyano-2-(dimethylamino)acetamide

C5H9N3O — CID 87781321

IUPAC2-cyano-2-(dimethylamino)acetamide
SMILESCN(C)C(C#N)C(N)=O
InChIInChI=1S/C5H9N3O/c1-8(2)4(3-6)5(7)9/h4H,1-2H3,(H2,7,9)
InChIKeyRBVMPNTVFXIMEF-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.07
Rot. Bonds2

About 2-cyano-2-(dimethylamino)acetamide

2-cyano-2-(dimethylamino)acetamide (PubChem CID 87781321) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-cyano-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name2-cyano-2-(dimethylamino)acetamide
PubChem CID87781321
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-cyano-2-(dimethylamino)acetamide
SMILESCN(C)C(C#N)C(N)=O
InChIInChI=1S/C5H9N3O/c1-8(2)4(3-6)5(7)9/h4H,1-2H3,(H2,7,9)
InChIKeyRBVMPNTVFXIMEF-UHFFFAOYSA-N
XLogP-1.07
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dicyano-3,3-dimethylpentanediamide
CID 4230422
2-cyano-2-methylsulfonylacetamide
CID 71352728
2-cyano-3-oxopentanamide
CID 174475780
(2S)-2-acetamido-2-cyanoacetamide
CID 728882
2,4-dicyano-3-ethylpentanediamide
CID 10013275
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
CID 55284755
2-[cyanomethyl(methyl)amino]butanamide
CID 62900421
3,3-dichloro-2-cyanopropanamide
CID 175353061
2-cyano-N-(2-cyanopropanoyl)-N-methylpropanamide
CID 12707168
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
(2S)-2-(dimethylamino)-3,3-dimethylbutanamide
CID 87149989
2-(diethylamino)-3-oxopentanenitrile
CID 22288438

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(dimethylamino)acetamide?
The IUPAC name of 2-cyano-2-(dimethylamino)acetamide (CID 87781321) is 2-cyano-2-(dimethylamino)acetamide.
What is the SMILES notation for 2-cyano-2-(dimethylamino)acetamide?
The canonical SMILES for 2-cyano-2-(dimethylamino)acetamide is CN(C)C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-2-(dimethylamino)acetamide?
The InChIKey is RBVMPNTVFXIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8(2)4(3-6)5(7)9/h4H,1-2H3,(H2,7,9).
What are the key properties of 2-cyano-2-(dimethylamino)acetamide?
2-cyano-2-(dimethylamino)acetamide has a molecular weight of 127.15 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(dimethylamino)acetamide is sourced from PubChem (CID 87781321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).