1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one

C18H22N2O2 — CID 101428096

IUPAC1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)N(C(=O)C2=CCCC2)N1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2)12-16(21)20(17(22)15-10-6-7-11-15)19(18)13-14-8-4-3-5-9-14/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyBIRGUNCCPYHPFT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.05
Rot. Bonds3

About 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one

1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one (PubChem CID 101428096) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one
PubChem CID101428096
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one
SMILESCC1(C)CC(=O)N(C(=O)C2=CCCC2)N1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-18(2)12-16(21)20(17(22)15-10-6-7-11-15)19(18)13-14-8-4-3-5-9-14/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyBIRGUNCCPYHPFT-UHFFFAOYSA-N
XLogP3.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5,5-dimethyl-2-[(E)-pent-2-enoyl]pyrazolidin-3-one
CID 11483054
2-benzoyl-1-benzyl-5,5-diethylpyrazolidin-3-one
CID 101421866
ethyl 5-benzyl-3-(2-benzyl-3,3-dimethyl-5-oxopyrazolidine-1-carbonyl)-1,4-dihydropyrazole-5-carboxylate
CID 54576177
1-benzyl-2-[(5S)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-5,5-dimethylpyrazolidin-3-one
CID 25212904
1-benzyl-5,5-dimethyl-2-[(4R)-3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-4-carbonyl]pyrazolidin-3-one
CID 25213388
1-benzyl-2-[(4R,5S)-3-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carbonyl]-5,5-dimethylpyrazolidin-3-one
CID 25216316
1-benzyl-7-(2-chloropropanoyl)-4,5-dihydro-3H-azepin-2-one
CID 87839259
3-(cyclopentene-1-carbonyl)-4-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 142842398
azetidin-1-yl(cyclopenten-1-yl)methanone
CID 126994970
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
1-benzyl-3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 134349532

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one?
The IUPAC name of 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one (CID 101428096) is 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one is CC1(C)CC(=O)N(C(=O)C2=CCCC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one?
The InChIKey is BIRGUNCCPYHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)12-16(21)20(17(22)15-10-6-7-11-15)19(18)13-14-8-4-3-5-9-14/h3-5,8-10H,6-7,11-13H2,1-2H3.
What are the key properties of 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one?
1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one has a molecular weight of 298.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(cyclopentene-1-carbonyl)-5,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 101428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).