[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C24H31N3O4 — CID 55380256

IUPAC[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC12CCC(C/C1=N/NC(=O)COC(=O)c1ccc(CN3CCCC3=O)cc1)C2(C)C
InChIInChI=1S/C24H31N3O4/c1-23(2)18-10-11-24(23,3)19(13-18)25-26-20(28)15-31-22(30)17-8-6-16(7-9-17)14-27-12-4-5-21(27)29/h6-9,18H,4-5,10-15H2,1-3H3,(H,26,28)/b25-19-
InChIKeyOIGUIRXQNFIBGB-PLRJNAJWSA-N
MW425.53 g/mol
LogP3.28
Rot. Bonds6

About [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 55380256) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID55380256
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESCC12CCC(C/C1=N/NC(=O)COC(=O)c1ccc(CN3CCCC3=O)cc1)C2(C)C
InChIInChI=1S/C24H31N3O4/c1-23(2)18-10-11-24(23,3)19(13-18)25-26-20(28)15-31-22(30)17-8-6-16(7-9-17)14-27-12-4-5-21(27)29/h6-9,18H,4-5,10-15H2,1-3H3,(H,26,28)/b25-19-
InChIKeyOIGUIRXQNFIBGB-PLRJNAJWSA-N
XLogP3.28
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate with MolForge

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Related Compounds

[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307114
[2-oxo-2-(propylamino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888225
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491496
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 71902153
[2-(4-bromoanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 18776364
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888043
[2-oxo-2-(4-propylphenyl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55380362
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 76889459
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30811701
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888059
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491309
4-(propan-2-yloxymethyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328126

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 55380256) is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is CC12CCC(C/C1=N/NC(=O)COC(=O)c1ccc(CN3CCCC3=O)cc1)C2(C)C.
What is the InChIKey of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is OIGUIRXQNFIBGB-PLRJNAJWSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-23(2)18-10-11-24(23,3)19(13-18)25-26-20(28)15-31-22(30)17-8-6-16(7-9-17)14-27-12-4-5-21(27)29/h6-9,18H,4-5,10-15H2,1-3H3,(H,26,28)/b25-19-.
What are the key properties of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 425.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 55380256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).