1-methanimidoylnaphthalen-2-ol

C11H9NO — CID 5214161

IUPAC1-methanimidoylnaphthalen-2-ol
SMILES[H]/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C11H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,12-13H/b12-7+
InChIKeyZNULUGOEZRSLQL-KPKJPENVSA-N
MW171.20 g/mol
LogP2.54
Rot. Bonds1

About 1-methanimidoylnaphthalen-2-ol

1-methanimidoylnaphthalen-2-ol (PubChem CID 5214161) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methanimidoylnaphthalen-2-ol.

Molecular Properties

Compound Name1-methanimidoylnaphthalen-2-ol
PubChem CID5214161
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-methanimidoylnaphthalen-2-ol
SMILES[H]/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C11H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,12-13H/b12-7+
InChIKeyZNULUGOEZRSLQL-KPKJPENVSA-N
XLogP2.54
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.54
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 1-methanimidoylnaphthalen-2-ol?
The IUPAC name of 1-methanimidoylnaphthalen-2-ol (CID 5214161) is 1-methanimidoylnaphthalen-2-ol.
What is the SMILES notation for 1-methanimidoylnaphthalen-2-ol?
The canonical SMILES for 1-methanimidoylnaphthalen-2-ol is [H]/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-methanimidoylnaphthalen-2-ol?
The InChIKey is ZNULUGOEZRSLQL-KPKJPENVSA-N. The full InChI is InChI=1S/C11H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,12-13H/b12-7+.
What are the key properties of 1-methanimidoylnaphthalen-2-ol?
1-methanimidoylnaphthalen-2-ol has a molecular weight of 171.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoylnaphthalen-2-ol is sourced from PubChem (CID 5214161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).