[2-(methylaminomethyl)-4-nitrosophenyl]methanol

C9H12N2O2 — CID 89069500

IUPAC[2-(methylaminomethyl)-4-nitrosophenyl]methanol
SMILESCNCc1cc(N=O)ccc1CO
InChIInChI=1S/C9H12N2O2/c1-10-5-8-4-9(11-13)3-2-7(8)6-12/h2-4,10,12H,5-6H2,1H3
InChIKeyUQZWJGOTFXIXQM-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds4

About [2-(methylaminomethyl)-4-nitrosophenyl]methanol

[2-(methylaminomethyl)-4-nitrosophenyl]methanol (PubChem CID 89069500) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [2-(methylaminomethyl)-4-nitrosophenyl]methanol.

Molecular Properties

Compound Name[2-(methylaminomethyl)-4-nitrosophenyl]methanol
PubChem CID89069500
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[2-(methylaminomethyl)-4-nitrosophenyl]methanol
SMILESCNCc1cc(N=O)ccc1CO
InChIInChI=1S/C9H12N2O2/c1-10-5-8-4-9(11-13)3-2-7(8)6-12/h2-4,10,12H,5-6H2,1H3
InChIKeyUQZWJGOTFXIXQM-UHFFFAOYSA-N
XLogP1.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)-4-nitrosophenyl]methanol?
The IUPAC name of [2-(methylaminomethyl)-4-nitrosophenyl]methanol (CID 89069500) is [2-(methylaminomethyl)-4-nitrosophenyl]methanol.
What is the SMILES notation for [2-(methylaminomethyl)-4-nitrosophenyl]methanol?
The canonical SMILES for [2-(methylaminomethyl)-4-nitrosophenyl]methanol is CNCc1cc(N=O)ccc1CO.
What is the InChIKey of [2-(methylaminomethyl)-4-nitrosophenyl]methanol?
The InChIKey is UQZWJGOTFXIXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-5-8-4-9(11-13)3-2-7(8)6-12/h2-4,10,12H,5-6H2,1H3.
What are the key properties of [2-(methylaminomethyl)-4-nitrosophenyl]methanol?
[2-(methylaminomethyl)-4-nitrosophenyl]methanol has a molecular weight of 180.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)-4-nitrosophenyl]methanol is sourced from PubChem (CID 89069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).