2-[(2-aminoindol-3-ylidene)methyl]phenol

C15H12N2O — CID 137201355

IUPAC2-[(2-aminoindol-3-ylidene)methyl]phenol
SMILESNC1=Nc2ccccc2C1=Cc1ccccc1O
InChIInChI=1S/C15H12N2O/c16-15-12(9-10-5-1-4-8-14(10)18)11-6-2-3-7-13(11)17-15/h1-9,18H,(H2,16,17)
InChIKeyFKRGDUJGJQNFIV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.94
Rot. Bonds1

About 2-[(2-aminoindol-3-ylidene)methyl]phenol

2-[(2-aminoindol-3-ylidene)methyl]phenol (PubChem CID 137201355) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2-aminoindol-3-ylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(2-aminoindol-3-ylidene)methyl]phenol
PubChem CID137201355
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-[(2-aminoindol-3-ylidene)methyl]phenol
SMILESNC1=Nc2ccccc2C1=Cc1ccccc1O
InChIInChI=1S/C15H12N2O/c16-15-12(9-10-5-1-4-8-14(10)18)11-6-2-3-7-13(11)17-15/h1-9,18H,(H2,16,17)
InChIKeyFKRGDUJGJQNFIV-UHFFFAOYSA-N
XLogP2.94
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoindol-3-ylidene)methyl]phenol?
The IUPAC name of 2-[(2-aminoindol-3-ylidene)methyl]phenol (CID 137201355) is 2-[(2-aminoindol-3-ylidene)methyl]phenol.
What is the SMILES notation for 2-[(2-aminoindol-3-ylidene)methyl]phenol?
The canonical SMILES for 2-[(2-aminoindol-3-ylidene)methyl]phenol is NC1=Nc2ccccc2C1=Cc1ccccc1O.
What is the InChIKey of 2-[(2-aminoindol-3-ylidene)methyl]phenol?
The InChIKey is FKRGDUJGJQNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15-12(9-10-5-1-4-8-14(10)18)11-6-2-3-7-13(11)17-15/h1-9,18H,(H2,16,17).
What are the key properties of 2-[(2-aminoindol-3-ylidene)methyl]phenol?
2-[(2-aminoindol-3-ylidene)methyl]phenol has a molecular weight of 236.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoindol-3-ylidene)methyl]phenol is sourced from PubChem (CID 137201355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).