N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

C11H17N3O3 — CID 110703425

IUPACN-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-14-11(17)8(10(16)13-14)6-9(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyCQVISYJVJFZGIY-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.45
Rot. Bonds3

About N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (PubChem CID 110703425) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
PubChem CID110703425
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-14-11(17)8(10(16)13-14)6-9(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,16)
InChIKeyCQVISYJVJFZGIY-UHFFFAOYSA-N
XLogP-0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703437
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
CID 110703494
N-cyclohexyl-2-[(4S)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 978120
N-cyclopentyl-2-(2-methylcyclopropyl)acetamide
CID 130890904
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide
CID 98283702
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (CID 110703425) is N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is CN1NC(=O)C(CC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The InChIKey is CQVISYJVJFZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-11(17)8(10(16)13-14)6-9(15)12-7-4-2-3-5-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 110703425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).