5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one

C9H14N2O2 — CID 105440083

IUPAC5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1NC(C2CC2)CC1=O
InChIInChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)4-8(10-11)7-2-3-7/h7-8,10H,2-5H2,1H3
InChIKeyWXCOZFTWQUALBU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.09
Rot. Bonds3

About 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one

5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one (PubChem CID 105440083) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one
PubChem CID105440083
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1NC(C2CC2)CC1=O
InChIInChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)4-8(10-11)7-2-3-7/h7-8,10H,2-5H2,1H3
InChIKeyWXCOZFTWQUALBU-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105464238
5-cyclopropyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105451618
5-cyclohexyl-2-(2-hydroxyethyl)pyrazolidin-3-one
CID 105466158
5-cyclobutyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105466140
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-[(2R,6S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]propan-2-one
CID 131175637
4-(2-oxopropyl)azetidin-2-one
CID 10887909
3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione
CID 82002901
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 161407996
5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
CID 105452159
5-(4-chlorocyclohexyl)pyrrolidin-2-one
CID 122491329

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one?
The IUPAC name of 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one (CID 105440083) is 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one is CC(=O)CN1NC(C2CC2)CC1=O.
What is the InChIKey of 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one?
The InChIKey is WXCOZFTWQUALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)5-11-9(13)4-8(10-11)7-2-3-7/h7-8,10H,2-5H2,1H3.
What are the key properties of 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one?
5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one is sourced from PubChem (CID 105440083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).