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

C20H21N3O2 — CID 138455324

IUPAC(3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
SMILESNNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21
InChIInChI=1S/C20H21N3O2/c21-23-19(25)18(24)11-17-15-8-7-13-5-1-2-6-14(13)16(15)12-20(22-17)9-3-4-10-20/h1-2,5-8,11,22H,3-4,9-10,12,21H2,(H,23,25)/b17-11-
InChIKeyWXPZABNFGSPSNF-BOPFTXTBSA-N
MW335.41 g/mol
LogP2.20
Rot. Bonds2

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

(3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide (PubChem CID 138455324) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
PubChem CID138455324
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide
SMILESNNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21
InChIInChI=1S/C20H21N3O2/c21-23-19(25)18(24)11-17-15-8-7-13-5-1-2-6-14(13)16(15)12-20(22-17)9-3-4-10-20/h1-2,5-8,11,22H,3-4,9-10,12,21H2,(H,23,25)/b17-11-
InChIKeyWXPZABNFGSPSNF-BOPFTXTBSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.20
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 (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The IUPAC name of (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide (CID 138455324) is (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide.
What is the SMILES notation for (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The canonical SMILES for (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide is NNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2c1ccc1ccccc21.
What is the InChIKey of (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
The InChIKey is WXPZABNFGSPSNF-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-23-19(25)18(24)11-17-15-8-7-13-5-1-2-6-14(13)16(15)12-20(22-17)9-3-4-10-20/h1-2,5-8,11,22H,3-4,9-10,12,21H2,(H,23,25)/b17-11-.
What are the key properties of (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide?
(3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide has a molecular weight of 335.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-spiro[1,3-dihydrobenzo[f]isoquinoline-2,1'-cyclopentane]-4-ylidenepropanehydrazide is sourced from PubChem (CID 138455324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).