[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone

C18H17NO2 — CID 139262529

IUPAC[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone
SMILESCO/N=C1\CCCc2cccc(C(=O)c3ccccc3)c21
InChIInChI=1S/C18H17NO2/c1-21-19-16-12-6-10-13-9-5-11-15(17(13)16)18(20)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3/b19-16+
InChIKeyKELRIELOHYWXTL-KNTRCKAVSA-N
MW279.34 g/mol
LogP3.60
Rot. Bonds3

About [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone

[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone (PubChem CID 139262529) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone
PubChem CID139262529
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone
SMILESCO/N=C1\CCCc2cccc(C(=O)c3ccccc3)c21
InChIInChI=1S/C18H17NO2/c1-21-19-16-12-6-10-13-9-5-11-15(17(13)16)18(20)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3/b19-16+
InChIKeyKELRIELOHYWXTL-KNTRCKAVSA-N
XLogP3.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone?
The IUPAC name of [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone (CID 139262529) is [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone is CO/N=C1\CCCc2cccc(C(=O)c3ccccc3)c21.
What is the InChIKey of [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone?
The InChIKey is KELRIELOHYWXTL-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-19-16-12-6-10-13-9-5-11-15(17(13)16)18(20)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12H2,1H3/b19-16+.
What are the key properties of [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone?
[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 139262529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).