2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol

C16H18N2O2 — CID 136836678

IUPAC2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\N1CCOCC1)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O2/c1-12(17-18-8-10-20-11-9-18)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,19H,8-11H2,1H3/b17-12+
InChIKeyOMKXVGBWNGNUCA-SFQUDFHCSA-N
MW270.33 g/mol
LogP2.60
Rot. Bonds2

About 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol

2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol (PubChem CID 136836678) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol
PubChem CID136836678
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\N1CCOCC1)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O2/c1-12(17-18-8-10-20-11-9-18)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,19H,8-11H2,1H3/b17-12+
InChIKeyOMKXVGBWNGNUCA-SFQUDFHCSA-N
XLogP2.60
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol (CID 136836678) is 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol is C/C(=N\N1CCOCC1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol?
The InChIKey is OMKXVGBWNGNUCA-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(17-18-8-10-20-11-9-18)14-7-6-13-4-2-3-5-15(13)16(14)19/h2-7,19H,8-11H2,1H3/b17-12+.
What are the key properties of 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol?
2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol has a molecular weight of 270.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 136836678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).