1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol

C20H16N2O — CID 805270

IUPAC1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol
SMILESCn1c(O)c(/C=N/c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N2O/c1-22-19-12-5-4-10-16(19)17(20(22)23)13-21-18-11-6-8-14-7-2-3-9-15(14)18/h2-13,23H,1H3/b21-13+
InChIKeyNZNZDIZCPSPZRT-FYJGNVAPSA-N
MW300.36 g/mol
LogP4.79
Rot. Bonds2

About 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol

1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol (PubChem CID 805270) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol
PubChem CID805270
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol
SMILESCn1c(O)c(/C=N/c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N2O/c1-22-19-12-5-4-10-16(19)17(20(22)23)13-21-18-11-6-8-14-7-2-3-9-15(14)18/h2-13,23H,1H3/b21-13+
InChIKeyNZNZDIZCPSPZRT-FYJGNVAPSA-N
XLogP4.79
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol?
The IUPAC name of 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol (CID 805270) is 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol.
What is the SMILES notation for 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol?
The canonical SMILES for 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol is Cn1c(O)c(/C=N/c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol?
The InChIKey is NZNZDIZCPSPZRT-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N2O/c1-22-19-12-5-4-10-16(19)17(20(22)23)13-21-18-11-6-8-14-7-2-3-9-15(14)18/h2-13,23H,1H3/b21-13+.
What are the key properties of 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol?
1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol has a molecular weight of 300.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(naphthalen-1-yliminomethyl)indol-2-ol is sourced from PubChem (CID 805270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).