methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate

C9H12N2O2 — CID 20646429

IUPACmethyl N'-(2-hydroxy-5-methylphenyl)carbamimidate
SMILESCO/C(N)=N\c1cc(C)ccc1O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-8(12)7(5-6)11-9(10)13-2/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyDGCFDNVPXCWDBX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds1

About methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate

methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate (PubChem CID 20646429) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(2-hydroxy-5-methylphenyl)carbamimidate
PubChem CID20646429
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl N'-(2-hydroxy-5-methylphenyl)carbamimidate
SMILESCO/C(N)=N\c1cc(C)ccc1O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-8(12)7(5-6)11-9(10)13-2/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyDGCFDNVPXCWDBX-UHFFFAOYSA-N
XLogP1.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'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 methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate?
The IUPAC name of methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate (CID 20646429) is methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate.
What is the SMILES notation for methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate?
The canonical SMILES for methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate is CO/C(N)=N\c1cc(C)ccc1O.
What is the InChIKey of methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate?
The InChIKey is DGCFDNVPXCWDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-4-8(12)7(5-6)11-9(10)13-2/h3-5,12H,1-2H3,(H2,10,11).
What are the key properties of methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate?
methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate has a molecular weight of 180.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2-hydroxy-5-methylphenyl)carbamimidate is sourced from PubChem (CID 20646429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).