3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one

C10H16F2N2O2 — CID 106172673

IUPAC3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CC(F)(F)CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12,6-15)5-14-4-3-8(9(14)16)13-7-1-2-7/h7-8,13,15H,1-6H2
InChIKeyZJCFTZFOXYHIHZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.03
Rot. Bonds5

About 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one

3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one (PubChem CID 106172673) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one
PubChem CID106172673
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1C(NC2CC2)CCN1CC(F)(F)CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12,6-15)5-14-4-3-8(9(14)16)13-7-1-2-7/h7-8,13,15H,1-6H2
InChIKeyZJCFTZFOXYHIHZ-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one (CID 106172673) is 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one is O=C1C(NC2CC2)CCN1CC(F)(F)CO.
What is the InChIKey of 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is ZJCFTZFOXYHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12,6-15)5-14-4-3-8(9(14)16)13-7-1-2-7/h7-8,13,15H,1-6H2.
What are the key properties of 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one?
3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 234.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2,2-difluoro-3-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 106172673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).