(2-methoxyanilino)methanone

C8H8NO2- — CID 91159074

IUPAC(2-methoxyanilino)methanone
SMILESCOc1ccccc1N[C-]=O
InChIInChI=1S/C8H8NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3,(H,9,10)/q-1
InChIKeyWWBOBZBOGHYIDJ-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.17
Rot. Bonds3

About (2-methoxyanilino)methanone

(2-methoxyanilino)methanone (PubChem CID 91159074) has the molecular formula C8H8NO2- and a molecular weight of 150.16 g/mol. Its IUPAC name is (2-methoxyanilino)methanone.

Molecular Properties

Compound Name(2-methoxyanilino)methanone
PubChem CID91159074
Molecular FormulaC8H8NO2-
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name(2-methoxyanilino)methanone
SMILESCOc1ccccc1N[C-]=O
InChIInChI=1S/C8H8NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3,(H,9,10)/q-1
InChIKeyWWBOBZBOGHYIDJ-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyanilino)methanone?
The IUPAC name of (2-methoxyanilino)methanone (CID 91159074) is (2-methoxyanilino)methanone.
What is the SMILES notation for (2-methoxyanilino)methanone?
The canonical SMILES for (2-methoxyanilino)methanone is COc1ccccc1N[C-]=O.
What is the InChIKey of (2-methoxyanilino)methanone?
The InChIKey is WWBOBZBOGHYIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3,(H,9,10)/q-1.
What are the key properties of (2-methoxyanilino)methanone?
(2-methoxyanilino)methanone has a molecular weight of 150.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyanilino)methanone is sourced from PubChem (CID 91159074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).