1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

C11H16F2N2O3 — CID 103770123

IUPAC1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C11H16F2N2O3/c12-10(13)8(16)4-14-11(18)6-3-9(17)15(5-6)7-1-2-7/h6-8,10,16H,1-5H2,(H,14,18)
InChIKeyQVZUGVIVMVREMY-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.26
Rot. Bonds5

About 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 103770123) has the molecular formula C11H16F2N2O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID103770123
Molecular FormulaC11H16F2N2O3
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C11H16F2N2O3/c12-10(13)8(16)4-14-11(18)6-3-9(17)15(5-6)7-1-2-7/h6-8,10,16H,1-5H2,(H,14,18)
InChIKeyQVZUGVIVMVREMY-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 103770123) is 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC(O)C(F)F)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QVZUGVIVMVREMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3/c12-10(13)8(16)4-14-11(18)6-3-9(17)15(5-6)7-1-2-7/h6-8,10,16H,1-5H2,(H,14,18).
What are the key properties of 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103770123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).