N-(iminomethylidene)-N'-phenylmethanimidamide

C8H7N3 — CID 51570164

IUPACN-(iminomethylidene)-N'-phenylmethanimidamide
SMILESN=C=N/C=N/c1ccccc1
InChIInChI=1S/C8H7N3/c9-6-10-7-11-8-4-2-1-3-5-8/h1-5,7,9H/b11-7+
InChIKeyWIPGOXCBIDUOIW-YRNVUSSQSA-N
MW145.16 g/mol
LogP2.10
Rot. Bonds2

About N-(iminomethylidene)-N'-phenylmethanimidamide

N-(iminomethylidene)-N'-phenylmethanimidamide (PubChem CID 51570164) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(iminomethylidene)-N'-phenylmethanimidamide.

Molecular Properties

Compound NameN-(iminomethylidene)-N'-phenylmethanimidamide
PubChem CID51570164
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC NameN-(iminomethylidene)-N'-phenylmethanimidamide
SMILESN=C=N/C=N/c1ccccc1
InChIInChI=1S/C8H7N3/c9-6-10-7-11-8-4-2-1-3-5-8/h1-5,7,9H/b11-7+
InChIKeyWIPGOXCBIDUOIW-YRNVUSSQSA-N
XLogP2.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(iminomethylidene)-N'-phenylmethanimidamide?
The IUPAC name of N-(iminomethylidene)-N'-phenylmethanimidamide (CID 51570164) is N-(iminomethylidene)-N'-phenylmethanimidamide.
What is the SMILES notation for N-(iminomethylidene)-N'-phenylmethanimidamide?
The canonical SMILES for N-(iminomethylidene)-N'-phenylmethanimidamide is N=C=N/C=N/c1ccccc1.
What is the InChIKey of N-(iminomethylidene)-N'-phenylmethanimidamide?
The InChIKey is WIPGOXCBIDUOIW-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H7N3/c9-6-10-7-11-8-4-2-1-3-5-8/h1-5,7,9H/b11-7+.
What are the key properties of N-(iminomethylidene)-N'-phenylmethanimidamide?
N-(iminomethylidene)-N'-phenylmethanimidamide has a molecular weight of 145.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iminomethylidene)-N'-phenylmethanimidamide is sourced from PubChem (CID 51570164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).