N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide

C12H11N5O — CID 10752606

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/NOCc1ccccc1
InChIInChI=1S/C12H11N5O/c13-6-11(15)12(7-14)16-9-17-18-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11-
InChIKeyGNFLVUUPKNJUSL-QXMHVHEDSA-N
MW241.25 g/mol
LogP0.95
Rot. Bonds5

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide

N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide (PubChem CID 10752606) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
PubChem CID10752606
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/NOCc1ccccc1
InChIInChI=1S/C12H11N5O/c13-6-11(15)12(7-14)16-9-17-18-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11-
InChIKeyGNFLVUUPKNJUSL-QXMHVHEDSA-N
XLogP0.95
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide (CID 10752606) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide is N#C/C(N)=C(C#N)/N=C/NOCc1ccccc1.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The InChIKey is GNFLVUUPKNJUSL-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H11N5O/c13-6-11(15)12(7-14)16-9-17-18-8-10-4-2-1-3-5-10/h1-5,9H,8,15H2,(H,16,17)/b12-11-.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide has a molecular weight of 241.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide is sourced from PubChem (CID 10752606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).