4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C9H13F3N2O3 — CID 19000558

IUPAC4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1(C2CNC(=O)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O.C2HF3O2/c8-7(1-2-7)5-3-6(10)9-4-5;3-2(4,5)1(6)7/h5H,1-4,8H2,(H,9,10);(H,6,7)
InChIKeySWCWSZMPKYNSDD-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.25
Rot. Bonds1

About 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 19000558) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID19000558
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1(C2CNC(=O)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O.C2HF3O2/c8-7(1-2-7)5-3-6(10)9-4-5;3-2(4,5)1(6)7/h5H,1-4,8H2,(H,9,10);(H,6,7)
InChIKeySWCWSZMPKYNSDD-UHFFFAOYSA-N
XLogP0.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 19000558) is 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is NC1(C2CNC(=O)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is SWCWSZMPKYNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2HF3O2/c8-7(1-2-7)5-3-6(10)9-4-5;3-2(4,5)1(6)7/h5H,1-4,8H2,(H,9,10);(H,6,7).
What are the key properties of 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 19000558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).