(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide

C12H14N4O — CID 13133245

IUPAC(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide
SMILESCN(C)/C(Nc1ccccc1)=C(/C#N)C(N)=O
InChIInChI=1S/C12H14N4O/c1-16(2)12(10(8-13)11(14)17)15-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H2,14,17)/b12-10-
InChIKeySWCATGJAAXDTLG-BENRWUELSA-N
MW230.27 g/mol
LogP0.88
Rot. Bonds4

About (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide

(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide (PubChem CID 13133245) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide
PubChem CID13133245
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide
SMILESCN(C)/C(Nc1ccccc1)=C(/C#N)C(N)=O
InChIInChI=1S/C12H14N4O/c1-16(2)12(10(8-13)11(14)17)15-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H2,14,17)/b12-10-
InChIKeySWCATGJAAXDTLG-BENRWUELSA-N
XLogP0.88
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-anilino-2-cyano-3-methylsulfanylprop-2-enamide
CID 71334604
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805
2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide
CID 617813
(E)-3-(4-bromoanilino)-2-cyanobut-2-enamide
CID 2839349
(Z)-3-anilino-2-cyano-3-methylsulfanylprop-2-enethioamide
CID 23656200
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
2-cyano-3-methyl-4-phenylbut-2-enamide
CID 68906819
(Z)-3-amino-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 70560556
(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide
CID 24805692
(Z,2Z)-2-[amino(anilino)methylidene]-5-anilino-3,4-dimethylhex-3-enenitrile
CID 163813806
(E)-2-cyano-3-(4-methoxyanilino)but-2-enamide
CID 793537
carbamothioic S-acid;phenylcarbamothioic S-acid;propanenitrile
CID 146585965

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide?
The IUPAC name of (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide (CID 13133245) is (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide is CN(C)/C(Nc1ccccc1)=C(/C#N)C(N)=O.
What is the InChIKey of (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide?
The InChIKey is SWCATGJAAXDTLG-BENRWUELSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(2)12(10(8-13)11(14)17)15-9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H2,14,17)/b12-10-.
What are the key properties of (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide?
(Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-2-cyano-3-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 13133245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).