(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide

C13H14N4O2 — CID 12526358

IUPAC(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H14N4O2/c14-10-12(13(18)17-6-8-19-9-7-17)16-15-11-4-2-1-3-5-11/h1-5,15H,6-9H2/b16-12+
InChIKeyQSZWQQMEVWVEFT-FOWTUZBSSA-N
MW258.28 g/mol
LogP0.84
Rot. Bonds3

About (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide

(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide (PubChem CID 12526358) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
PubChem CID12526358
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H14N4O2/c14-10-12(13(18)17-6-8-19-9-7-17)16-15-11-4-2-1-3-5-11/h1-5,15H,6-9H2/b16-12+
InChIKeyQSZWQQMEVWVEFT-FOWTUZBSSA-N
XLogP0.84
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
CID 6822999
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
CID 134103700
(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
CID 172976707
(1E)-N-anilino-2-oxo-2-(1H-pyrrol-2-yl)ethanimidoyl cyanide
CID 24741662
(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843698
(E,2E)-4-morpholin-4-yl-3-phenyl-2-(phenylhydrazinylidene)but-3-enoic acid
CID 88828938
(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843721
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide
CID 6614545
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346

Frequently Asked Questions

What is the IUPAC name of (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide?
The IUPAC name of (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide (CID 12526358) is (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide is N#C/C(=N\Nc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide?
The InChIKey is QSZWQQMEVWVEFT-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-10-12(13(18)17-6-8-19-9-7-17)16-15-11-4-2-1-3-5-11/h1-5,15H,6-9H2/b16-12+.
What are the key properties of (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide?
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide has a molecular weight of 258.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 12526358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).