N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C24H23NO3 — CID 139083375

IUPACN-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC/C=[N+](\[O-])CC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.C4H9NO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5(6)4-2/h1-12,21-22H;3H,4H2,1-2H3/b;5-3-
InChIKeyQGADBBIIQMHDRL-PJAIOPLOSA-N
MW373.45 g/mol
LogP5.68
Rot. Bonds2

About N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 139083375) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound NameN-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID139083375
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC NameN-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESC/C=[N+](\[O-])CC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.C4H9NO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5(6)4-2/h1-12,21-22H;3H,4H2,1-2H3/b;5-3-
InChIKeyQGADBBIIQMHDRL-PJAIOPLOSA-N
XLogP5.68
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 139083375) is N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is C/C=[N+](\[O-])CC.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is QGADBBIIQMHDRL-PJAIOPLOSA-N. The full InChI is InChI=1S/C20H14O2.C4H9NO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5(6)4-2/h1-12,21-22H;3H,4H2,1-2H3/b;5-3-.
What are the key properties of N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 373.45 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanimine oxide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 139083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).