(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one

C10H12N2O2 — CID 172943365

IUPAC(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one
SMILESCO/N=C1/CCCC2=NC(=O)C=CC21
InChIInChI=1S/C10H12N2O2/c1-14-12-9-4-2-3-8-7(9)5-6-10(13)11-8/h5-7H,2-4H2,1H3/b12-9-
InChIKeySGNCWKGFMXYEIA-XFXZXTDPSA-N
MW192.22 g/mol
LogP1.33
Rot. Bonds1

About (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one

(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one (PubChem CID 172943365) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one
PubChem CID172943365
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one
SMILESCO/N=C1/CCCC2=NC(=O)C=CC21
InChIInChI=1S/C10H12N2O2/c1-14-12-9-4-2-3-8-7(9)5-6-10(13)11-8/h5-7H,2-4H2,1H3/b12-9-
InChIKeySGNCWKGFMXYEIA-XFXZXTDPSA-N
XLogP1.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.33
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 (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one (CID 172943365) is (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one is CO/N=C1/CCCC2=NC(=O)C=CC21.
What is the InChIKey of (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is SGNCWKGFMXYEIA-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-12-9-4-2-3-8-7(9)5-6-10(13)11-8/h5-7H,2-4H2,1H3/b12-9-.
What are the key properties of (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one?
(5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-methoxyimino-4a,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 172943365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).