2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide

C16H19N3O2 — CID 4555708

IUPAC2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
SMILESNNC(=O)C(=O)C=C1NC2(CCCC2)Cc2ccccc21
InChIInChI=1S/C16H19N3O2/c17-19-15(21)14(20)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10,17H2,(H,19,21)
InChIKeyYZVUTLGVCDWYBC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.04
Rot. Bonds2

About 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide

2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide (PubChem CID 4555708) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide.

Molecular Properties

Compound Name2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
PubChem CID4555708
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
SMILESNNC(=O)C(=O)C=C1NC2(CCCC2)Cc2ccccc21
InChIInChI=1S/C16H19N3O2/c17-19-15(21)14(20)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10,17H2,(H,19,21)
InChIKeyYZVUTLGVCDWYBC-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide?
The IUPAC name of 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide (CID 4555708) is 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide.
What is the SMILES notation for 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide?
The canonical SMILES for 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide is NNC(=O)C(=O)C=C1NC2(CCCC2)Cc2ccccc21.
What is the InChIKey of 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide?
The InChIKey is YZVUTLGVCDWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-19-15(21)14(20)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10,17H2,(H,19,21).
What are the key properties of 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide?
2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide has a molecular weight of 285.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide is sourced from PubChem (CID 4555708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).