(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide

C24H25N3O4 — CID 138455440

IUPAC(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
SMILESCC(=O)N(NC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21)C(C)=O
InChIInChI=1S/C24H25N3O4/c1-15(28)27(16(2)29)26-23(31)22(30)13-21-19-10-9-17-7-3-4-8-18(17)20(19)14-24(25-21)11-5-6-12-24/h3-4,7-10,13,25H,5-6,11-12,14H2,1-2H3,(H,26,31)/b21-13-
InChIKeyYGCZSPGZLBTVJS-BKUYFWCQSA-N
MW419.48 g/mol
LogP2.63
Rot. Bonds2

About (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide

(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide (PubChem CID 138455440) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide.

Molecular Properties

Compound Name(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
PubChem CID138455440
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
SMILESCC(=O)N(NC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21)C(C)=O
InChIInChI=1S/C24H25N3O4/c1-15(28)27(16(2)29)26-23(31)22(30)13-21-19-10-9-17-7-3-4-8-18(17)20(19)14-24(25-21)11-5-6-12-24/h3-4,7-10,13,25H,5-6,11-12,14H2,1-2H3,(H,26,31)/b21-13-
InChIKeyYGCZSPGZLBTVJS-BKUYFWCQSA-N
XLogP2.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The IUPAC name of (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide (CID 138455440) is (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide.
What is the SMILES notation for (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The canonical SMILES for (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide is CC(=O)N(NC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21)C(C)=O.
What is the InChIKey of (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The InChIKey is YGCZSPGZLBTVJS-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15(28)27(16(2)29)26-23(31)22(30)13-21-19-10-9-17-7-3-4-8-18(17)20(19)14-24(25-21)11-5-6-12-24/h3-4,7-10,13,25H,5-6,11-12,14H2,1-2H3,(H,26,31)/b21-13-.
What are the key properties of (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
(3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide has a molecular weight of 419.48 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N',N'-diacetyl-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide is sourced from PubChem (CID 138455440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).