4-methanimidoylbenzene-1,3-diol;N-methylaniline

C14H16N2O2 — CID 135641187

IUPAC4-methanimidoylbenzene-1,3-diol;N-methylaniline
SMILESCNc1ccccc1.[H]/N=C/c1ccc(O)cc1O
InChIInChI=1S/C7H7NO2.C7H9N/c8-4-5-1-2-6(9)3-7(5)10;1-8-7-5-3-2-4-6-7/h1-4,8-10H;2-6,8H,1H3/b8-4+;
InChIKeyHRXVCDXCABTWPD-ZFXMFRGYSA-N
MW244.29 g/mol
LogP2.82
Rot. Bonds2

About 4-methanimidoylbenzene-1,3-diol;N-methylaniline

4-methanimidoylbenzene-1,3-diol;N-methylaniline (PubChem CID 135641187) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methanimidoylbenzene-1,3-diol;N-methylaniline.

Molecular Properties

Compound Name4-methanimidoylbenzene-1,3-diol;N-methylaniline
PubChem CID135641187
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-methanimidoylbenzene-1,3-diol;N-methylaniline
SMILESCNc1ccccc1.[H]/N=C/c1ccc(O)cc1O
InChIInChI=1S/C7H7NO2.C7H9N/c8-4-5-1-2-6(9)3-7(5)10;1-8-7-5-3-2-4-6-7/h1-4,8-10H;2-6,8H,1H3/b8-4+;
InChIKeyHRXVCDXCABTWPD-ZFXMFRGYSA-N
XLogP2.82
TPSA76.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylbenzene-1,3-diol;N-methylaniline?
The IUPAC name of 4-methanimidoylbenzene-1,3-diol;N-methylaniline (CID 135641187) is 4-methanimidoylbenzene-1,3-diol;N-methylaniline.
What is the SMILES notation for 4-methanimidoylbenzene-1,3-diol;N-methylaniline?
The canonical SMILES for 4-methanimidoylbenzene-1,3-diol;N-methylaniline is CNc1ccccc1.[H]/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-methanimidoylbenzene-1,3-diol;N-methylaniline?
The InChIKey is HRXVCDXCABTWPD-ZFXMFRGYSA-N. The full InChI is InChI=1S/C7H7NO2.C7H9N/c8-4-5-1-2-6(9)3-7(5)10;1-8-7-5-3-2-4-6-7/h1-4,8-10H;2-6,8H,1H3/b8-4+;.
What are the key properties of 4-methanimidoylbenzene-1,3-diol;N-methylaniline?
4-methanimidoylbenzene-1,3-diol;N-methylaniline has a molecular weight of 244.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylbenzene-1,3-diol;N-methylaniline is sourced from PubChem (CID 135641187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).