2-(3-imino-1H-isoindol-2-yl)phenol

C14H12N2O — CID 4006101

IUPAC2-(3-imino-1H-isoindol-2-yl)phenol
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1O
InChIInChI=1S/C14H12N2O/c15-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17/h1-8,15,17H,9H2/b15-14+
InChIKeyHANSBLBXOBCZDL-CCEZHUSRSA-N
MW224.26 g/mol
LogP2.74
Rot. Bonds1

About 2-(3-imino-1H-isoindol-2-yl)phenol

2-(3-imino-1H-isoindol-2-yl)phenol (PubChem CID 4006101) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-imino-1H-isoindol-2-yl)phenol.

Molecular Properties

Compound Name2-(3-imino-1H-isoindol-2-yl)phenol
PubChem CID4006101
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(3-imino-1H-isoindol-2-yl)phenol
SMILES[H]/N=C1\c2ccccc2CN1c1ccccc1O
InChIInChI=1S/C14H12N2O/c15-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17/h1-8,15,17H,9H2/b15-14+
InChIKeyHANSBLBXOBCZDL-CCEZHUSRSA-N
XLogP2.74
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(3-imino-1H-isoindol-2-yl)phenol?
The IUPAC name of 2-(3-imino-1H-isoindol-2-yl)phenol (CID 4006101) is 2-(3-imino-1H-isoindol-2-yl)phenol.
What is the SMILES notation for 2-(3-imino-1H-isoindol-2-yl)phenol?
The canonical SMILES for 2-(3-imino-1H-isoindol-2-yl)phenol is [H]/N=C1\c2ccccc2CN1c1ccccc1O.
What is the InChIKey of 2-(3-imino-1H-isoindol-2-yl)phenol?
The InChIKey is HANSBLBXOBCZDL-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H12N2O/c15-14-11-6-2-1-5-10(11)9-16(14)12-7-3-4-8-13(12)17/h1-8,15,17H,9H2/b15-14+.
What are the key properties of 2-(3-imino-1H-isoindol-2-yl)phenol?
2-(3-imino-1H-isoindol-2-yl)phenol has a molecular weight of 224.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imino-1H-isoindol-2-yl)phenol is sourced from PubChem (CID 4006101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).