2-cyano-3-(dimethylamino)-N-methylprop-2-enamide

C7H11N3O — CID 3467239

IUPAC2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=CN(C)C
InChIInChI=1S/C7H11N3O/c1-9-7(11)6(4-8)5-10(2)3/h5H,1-3H3,(H,9,11)
InChIKeyJONZGHCELDAFSQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.30
Rot. Bonds2

About 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide

2-cyano-3-(dimethylamino)-N-methylprop-2-enamide (PubChem CID 3467239) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
PubChem CID3467239
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=CN(C)C
InChIInChI=1S/C7H11N3O/c1-9-7(11)6(4-8)5-10(2)3/h5H,1-3H3,(H,9,11)
InChIKeyJONZGHCELDAFSQ-UHFFFAOYSA-N
XLogP-0.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.30
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

(E)-2-cyano-3-(dimethylamino)-N-propan-2-ylprop-2-enamide
CID 2799781
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
(E)-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(dimethylamino)prop-2-enamide
CID 139315219
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
CID 2799818
(Z)-2-cyano-N-methylhex-2-enamide
CID 144646331
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(E)-2-cyano-3-(dimethylamino)-N-[(Z)-(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]prop-2-enamide
CID 6517202
(Z)-2-cyano-5-iodo-N-methylpent-2-enamide
CID 90225877
2-(dimethylaminomethylidene)-4,4,5,5,5-pentafluoro-3-oxopentanenitrile
CID 59146508

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide?
The IUPAC name of 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide (CID 3467239) is 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide is CNC(=O)C(C#N)=CN(C)C.
What is the InChIKey of 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide?
The InChIKey is JONZGHCELDAFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-7(11)6(4-8)5-10(2)3/h5H,1-3H3,(H,9,11).
What are the key properties of 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide?
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide has a molecular weight of 153.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(dimethylamino)-N-methylprop-2-enamide is sourced from PubChem (CID 3467239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).