N'-hydroxy-2-methylbenzenecarboximidamide

C8H10N2O — CID 3098087

IUPACN'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1ccccc1C(N)=NO
InChIInChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyUAKAWWHOQNNATR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.09
Rot. Bonds1

About N'-hydroxy-2-methylbenzenecarboximidamide

N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 3098087) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID3098087
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1ccccc1C(N)=NO
InChIInChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyUAKAWWHOQNNATR-UHFFFAOYSA-N
XLogP1.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
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': 'oxime_1', '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'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methylbenzenecarboximidamide (CID 3098087) is N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methylbenzenecarboximidamide is Cc1ccccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is UAKAWWHOQNNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(9)10-11/h2-5,11H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methylbenzenecarboximidamide?
N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 150.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 3098087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).