1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one

C8H15N3O — CID 105434202

IUPAC1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(CC2CCCN2)N1
InChIInChI=1S/C8H15N3O/c12-8-3-5-11(10-8)6-7-2-1-4-9-7/h7,9H,1-6H2,(H,10,12)
InChIKeyIXIXIXBMEOVILS-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.52
Rot. Bonds2

About 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one

1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one (PubChem CID 105434202) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
PubChem CID105434202
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(CC2CCCN2)N1
InChIInChI=1S/C8H15N3O/c12-8-3-5-11(10-8)6-7-2-1-4-9-7/h7,9H,1-6H2,(H,10,12)
InChIKeyIXIXIXBMEOVILS-UHFFFAOYSA-N
XLogP-0.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117402493
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one (CID 105434202) is 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one is O=C1CCN(CC2CCCN2)N1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one?
The InChIKey is IXIXIXBMEOVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c12-8-3-5-11(10-8)6-7-2-1-4-9-7/h7,9H,1-6H2,(H,10,12).
What are the key properties of 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one?
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one has a molecular weight of 169.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 105434202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).