5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

C9H12N2O2 — CID 143273094

IUPAC5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1ccc(CN)cc1O
InChIInChI=1S/C9H12N2O2/c1-6(11-13)8-3-2-7(5-10)4-9(8)12/h2-4,12-13H,5,10H2,1H3/b11-6-
InChIKeyFCVUSYMKNICVNQ-WDZFZDKYSA-N
MW180.21 g/mol
LogP1.05
Rot. Bonds2

About 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol

5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 143273094) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID143273094
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/O)c1ccc(CN)cc1O
InChIInChI=1S/C9H12N2O2/c1-6(11-13)8-3-2-7(5-10)4-9(8)12/h2-4,12-13H,5,10H2,1H3/b11-6-
InChIKeyFCVUSYMKNICVNQ-WDZFZDKYSA-N
XLogP1.05
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol 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

5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 154396008
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
ethane;2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136640862
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
2,4-bis[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 172651756
4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 177487240
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,5-dimethylphenol
CID 137262701

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 143273094) is 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N/O)c1ccc(CN)cc1O.
What is the InChIKey of 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is FCVUSYMKNICVNQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(11-13)8-3-2-7(5-10)4-9(8)12/h2-4,12-13H,5,10H2,1H3/b11-6-.
What are the key properties of 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol?
5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 180.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 143273094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).