methyl 2-hydroxybenzenecarboximidate

C8H9NO2 — CID 135905310

IUPACmethyl 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OC)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-11-8(9)6-4-2-3-5-7(6)10/h2-5,9-10H,1H3/b9-8-
InChIKeyKIJFLYTWJQUSAY-HJWRWDBZSA-N
MW151.16 g/mol
LogP1.36
Rot. Bonds1

About methyl 2-hydroxybenzenecarboximidate

methyl 2-hydroxybenzenecarboximidate (PubChem CID 135905310) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl 2-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-hydroxybenzenecarboximidate
PubChem CID135905310
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OC)c1ccccc1O
InChIInChI=1S/C8H9NO2/c1-11-8(9)6-4-2-3-5-7(6)10/h2-5,9-10H,1H3/b9-8-
InChIKeyKIJFLYTWJQUSAY-HJWRWDBZSA-N
XLogP1.36
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-hydroxybenzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethoxymethyl)phenol
CID 3486665
5-(2'-Hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione (2)
CID 693308
Nocazoline A
CID 136099212
2-(4',4'-Dimethyl-3',4'-dihydrooxazol-2'-yl)phenol
CID 3074828
1-(2-Hydroxyphenyl)ethan-1-one oxime
CID 135410018
Phenol, 2-(methoxymethyl)-
CID 182079
Ethyl 4-hydroxybenzimidate hydrochloride
CID 135442973
Benzaldehyde, 2-hydroxy, O-methyloxime
CID 135542888
Methylhydroxybenzimidate
CID 98895
2-Hydroxyphenyl-imido-ethylether
CID 167939
Salicylaldehyde imine
CID 260739
2-[1-(Hydroxyimino)ethyl]phenol
CID 135629233

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybenzenecarboximidate?
The IUPAC name of methyl 2-hydroxybenzenecarboximidate (CID 135905310) is methyl 2-hydroxybenzenecarboximidate.
What is the SMILES notation for methyl 2-hydroxybenzenecarboximidate?
The canonical SMILES for methyl 2-hydroxybenzenecarboximidate is [H]/N=C(\OC)c1ccccc1O.
What is the InChIKey of methyl 2-hydroxybenzenecarboximidate?
The InChIKey is KIJFLYTWJQUSAY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8(9)6-4-2-3-5-7(6)10/h2-5,9-10H,1H3/b9-8-.
What are the key properties of methyl 2-hydroxybenzenecarboximidate?
methyl 2-hydroxybenzenecarboximidate has a molecular weight of 151.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybenzenecarboximidate is sourced from PubChem (CID 135905310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).