(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide

C9H15N3O — CID 2799781

IUPAC(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C/N(C)C
InChIInChI=1S/C9H15N3O/c1-7(2)11-9(13)8(5-10)6-12(3)4/h6-7H,1-4H3,(H,11,13)/b8-6+
InChIKeyUGAXIQPEPITUOJ-SOFGYWHQSA-N
MW181.24 g/mol
LogP0.48
Rot. Bonds3

About (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide

(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide (PubChem CID 2799781) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
PubChem CID2799781
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C/N(C)C
InChIInChI=1S/C9H15N3O/c1-7(2)11-9(13)8(5-10)6-12(3)4/h6-7H,1-4H3,(H,11,13)/b8-6+
InChIKeyUGAXIQPEPITUOJ-SOFGYWHQSA-N
XLogP0.48
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
(Z)-2-cyano-3-(dibutylamino)-N-propan-2-ylprop-2-enamide
CID 108829642
(E)-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(dimethylamino)prop-2-enamide
CID 139315219
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylprop-2-enamide
CID 108829779
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(Z)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 2713962
2-(dimethylaminomethylidene)-4,4,5,5,5-pentafluoro-3-oxopentanenitrile
CID 59146508
(Z)-N-butan-2-yl-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108834513
2-cyano-N-propan-2-yl-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76862557
(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
CID 2799818

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide (CID 2799781) is (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C/N(C)C.
What is the InChIKey of (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide?
The InChIKey is UGAXIQPEPITUOJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)11-9(13)8(5-10)6-12(3)4/h6-7H,1-4H3,(H,11,13)/b8-6+.
What are the key properties of (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide?
(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 2799781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).