N-(2-oxoethenylidene)-N'-phenylmethanimidamide

C9H6N2O — CID 141072973

IUPACN-(2-oxoethenylidene)-N'-phenylmethanimidamide
SMILESO=C=C=N/C=N/c1ccccc1
InChIInChI=1S/C9H6N2O/c12-7-6-10-8-11-9-4-2-1-3-5-9/h1-5,8H/b11-8+
InChIKeyBICBHHSMBMCAST-DHZHZOJOSA-N
MW158.16 g/mol
LogP1.40
Rot. Bonds2

About N-(2-oxoethenylidene)-N'-phenylmethanimidamide

N-(2-oxoethenylidene)-N'-phenylmethanimidamide (PubChem CID 141072973) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is N-(2-oxoethenylidene)-N'-phenylmethanimidamide.

Molecular Properties

Compound NameN-(2-oxoethenylidene)-N'-phenylmethanimidamide
PubChem CID141072973
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC NameN-(2-oxoethenylidene)-N'-phenylmethanimidamide
SMILESO=C=C=N/C=N/c1ccccc1
InChIInChI=1S/C9H6N2O/c12-7-6-10-8-11-9-4-2-1-3-5-9/h1-5,8H/b11-8+
InChIKeyBICBHHSMBMCAST-DHZHZOJOSA-N
XLogP1.40
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethenylidene)-N'-phenylmethanimidamide?
The IUPAC name of N-(2-oxoethenylidene)-N'-phenylmethanimidamide (CID 141072973) is N-(2-oxoethenylidene)-N'-phenylmethanimidamide.
What is the SMILES notation for N-(2-oxoethenylidene)-N'-phenylmethanimidamide?
The canonical SMILES for N-(2-oxoethenylidene)-N'-phenylmethanimidamide is O=C=C=N/C=N/c1ccccc1.
What is the InChIKey of N-(2-oxoethenylidene)-N'-phenylmethanimidamide?
The InChIKey is BICBHHSMBMCAST-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H6N2O/c12-7-6-10-8-11-9-4-2-1-3-5-9/h1-5,8H/b11-8+.
What are the key properties of N-(2-oxoethenylidene)-N'-phenylmethanimidamide?
N-(2-oxoethenylidene)-N'-phenylmethanimidamide has a molecular weight of 158.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethenylidene)-N'-phenylmethanimidamide is sourced from PubChem (CID 141072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).