(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide

C12H15N3O — CID 58870295

IUPAC(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide
SMILESCN(C)/C(N)=N/C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H15N3O/c1-15(2)12(13)14-11(16)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14,16)/b9-8+
InChIKeyDFHWZOGNQXSCSX-CMDGGOBGSA-N
MW217.27 g/mol
LogP1.10
Rot. Bonds2

About (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide

(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide (PubChem CID 58870295) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide
PubChem CID58870295
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide
SMILESCN(C)/C(N)=N/C(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H15N3O/c1-15(2)12(13)14-11(16)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14,16)/b9-8+
InChIKeyDFHWZOGNQXSCSX-CMDGGOBGSA-N
XLogP1.10
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[amino(dimethylamino)methylidene]-3-(2-chloro-6-methylphenyl)prop-2-enamide
CID 159702567
N-(diaminomethylidene)-3-(2,6-dichlorophenyl)prop-2-enamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174544055
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
CID 54228686
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
N-(diaminomethylidene)naphthalene-2-carboxamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174530124
(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
CID 134920511
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890

Frequently Asked Questions

What is the IUPAC name of (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide (CID 58870295) is (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide is CN(C)/C(N)=N/C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide?
The InChIKey is DFHWZOGNQXSCSX-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(2)12(13)14-11(16)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,13,14,16)/b9-8+.
What are the key properties of (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide?
(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide is sourced from PubChem (CID 58870295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).