N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide

C9H13N3O3 — CID 110703629

IUPACN-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide
SMILESO=C(CCC1C(=O)NNC1=O)NC1CC1
InChIInChI=1S/C9H13N3O3/c13-7(10-5-1-2-5)4-3-6-8(14)11-12-9(6)15/h5-6H,1-4H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyYHDLZAPICCWEJO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.18
Rot. Bonds4

About N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide

N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide (PubChem CID 110703629) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide
PubChem CID110703629
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide
SMILESO=C(CCC1C(=O)NNC1=O)NC1CC1
InChIInChI=1S/C9H13N3O3/c13-7(10-5-1-2-5)4-3-6-8(14)11-12-9(6)15/h5-6H,1-4H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyYHDLZAPICCWEJO-UHFFFAOYSA-N
XLogP-1.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide (CID 110703629) is N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide is O=C(CCC1C(=O)NNC1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide?
The InChIKey is YHDLZAPICCWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-7(10-5-1-2-5)4-3-6-8(14)11-12-9(6)15/h5-6H,1-4H2,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide?
N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,5-dioxopyrazolidin-4-yl)propanamide is sourced from PubChem (CID 110703629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).