(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one

C14H16N2O2 — CID 87210371

IUPAC(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one
SMILESCO/N=C1\CN(Cc2ccccc2)C(=O)C12CC2
InChIInChI=1S/C14H16N2O2/c1-18-15-12-10-16(13(17)14(12)7-8-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/b15-12+
InChIKeyKIYINPJEGWGJRT-NTCAYCPXSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds3

About (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one

(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one (PubChem CID 87210371) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one
PubChem CID87210371
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one
SMILESCO/N=C1\CN(Cc2ccccc2)C(=O)C12CC2
InChIInChI=1S/C14H16N2O2/c1-18-15-12-10-16(13(17)14(12)7-8-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/b15-12+
InChIKeyKIYINPJEGWGJRT-NTCAYCPXSA-N
XLogP1.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
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 (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one (CID 87210371) is (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one is CO/N=C1\CN(Cc2ccccc2)C(=O)C12CC2.
What is the InChIKey of (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one?
The InChIKey is KIYINPJEGWGJRT-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-15-12-10-16(13(17)14(12)7-8-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/b15-12+.
What are the key properties of (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one?
(7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one has a molecular weight of 244.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5-benzyl-7-methoxyimino-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 87210371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).