N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide

C13H15N5O — CID 6822999

IUPACN-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(\C(C#N)=NNc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15N5O/c14-10-12(13(15)18-6-8-19-9-7-18)17-16-11-4-2-1-3-5-11/h1-5,15-16H,6-9H2/b15-13+,17-12?
InChIKeyDOCDPQYKUANKSI-QXVZLFLVSA-N
MW257.30 g/mol
LogP1.29
Rot. Bonds3

About N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide

N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide (PubChem CID 6822999) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide.

Molecular Properties

Compound NameN-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
PubChem CID6822999
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(\C(C#N)=NNc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15N5O/c14-10-12(13(15)18-6-8-19-9-7-18)17-16-11-4-2-1-3-5-11/h1-5,15-16H,6-9H2/b15-13+,17-12?
InChIKeyDOCDPQYKUANKSI-QXVZLFLVSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The IUPAC name of N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide (CID 6822999) is N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide.
What is the SMILES notation for N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The canonical SMILES for N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide is [H]/N=C(\C(C#N)=NNc1ccccc1)N1CCOCC1.
What is the InChIKey of N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The InChIKey is DOCDPQYKUANKSI-QXVZLFLVSA-N. The full InChI is InChI=1S/C13H15N5O/c14-10-12(13(15)18-6-8-19-9-7-18)17-16-11-4-2-1-3-5-11/h1-5,15-16H,6-9H2/b15-13+,17-12?.
What are the key properties of N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide has a molecular weight of 257.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-2-imino-2-morpholin-4-ylethanimidoyl cyanide is sourced from PubChem (CID 6822999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).