(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide

C23H24N2O2 — CID 2206611

IUPAC(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
SMILESO=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(22(27)24-16-17-8-2-1-3-9-17)14-20-19-11-5-4-10-18(19)15-23(25-20)12-6-7-13-23/h1-5,8-11,14,25H,6-7,12-13,15-16H2,(H,24,27)/b20-14-
InChIKeyDZRNRQYJSUWQQQ-ZHZULCJRSA-N
MW360.46 g/mol
LogP3.37
Rot. Bonds4

About (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide

(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide (PubChem CID 2206611) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide.

Molecular Properties

Compound Name(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
PubChem CID2206611
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
SMILESO=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(22(27)24-16-17-8-2-1-3-9-17)14-20-19-11-5-4-10-18(19)15-23(25-20)12-6-7-13-23/h1-5,8-11,14,25H,6-7,12-13,15-16H2,(H,24,27)/b20-14-
InChIKeyDZRNRQYJSUWQQQ-ZHZULCJRSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide with MolForge

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Related Compounds

(1Z)-1-phenacylidenespiro[2,4-dihydroisoquinoline-3,4'-cyclohexane]-1'-carboxylic acid
CID 10155501
(3Z)-N-[(E)-benzylideneamino]-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanamide
CID 6877710
methyl 3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 5172752
ethyl (3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 11065621
ethyl 1-[2-(benzylcarbamothioyl)hydrazinyl]spiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
CID 155907111
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
CID 4084988
2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
CID 73449358
N'-benzyloxamide
CID 561416
1-cyclododecyl-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69212093
(3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1,1,1-trifluoropropan-2-one
CID 23251449
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573755
(3R)-N,2-dibenzyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 95089584

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The IUPAC name of (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide (CID 2206611) is (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide.
What is the SMILES notation for (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The canonical SMILES for (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide is O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NCc1ccccc1.
What is the InChIKey of (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The InChIKey is DZRNRQYJSUWQQQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-21(22(27)24-16-17-8-2-1-3-9-17)14-20-19-11-5-4-10-18(19)15-23(25-20)12-6-7-13-23/h1-5,8-11,14,25H,6-7,12-13,15-16H2,(H,24,27)/b20-14-.
What are the key properties of (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
(3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide has a molecular weight of 360.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-benzyl-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide is sourced from PubChem (CID 2206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).