ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane

C14H25F3N2O4 — CID 142438437

IUPACethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
SMILESCC.CCC.O=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O4.C3H8.C2H6/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16;1-3-2;1-2/h4-5,15H,1-3H2,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3
InChIKeyUJTTZVCVEHMARJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.68
Rot. Bonds3

About ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane

ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane (PubChem CID 142438437) has the molecular formula C14H25F3N2O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane.

Molecular Properties

Compound Nameethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
PubChem CID142438437
Molecular FormulaC14H25F3N2O4
Molecular Weight342.36 g/mol
Exact Mass342.18
IUPAC Nameethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
SMILESCC.CCC.O=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2O4.C3H8.C2H6/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16;1-3-2;1-2/h4-5,15H,1-3H2,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3
InChIKeyUJTTZVCVEHMARJ-UHFFFAOYSA-N
XLogP1.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438408
N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438416
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438438
4-hydroxy-N-(1-methoxycyclopropyl)-2-oxopyrrolidine-3-carboxamide
CID 142438404
N-(1-ethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438409
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane
CID 142438432
4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide
CID 142438445
ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438466

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane?
The IUPAC name of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane (CID 142438437) is ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane.
What is the SMILES notation for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane?
The canonical SMILES for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane is CC.CCC.O=C1NCC(O)C1C(=O)NC1(OC(F)(F)F)CC1.
What is the InChIKey of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane?
The InChIKey is UJTTZVCVEHMARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4.C3H8.C2H6/c10-9(11,12)18-8(1-2-8)14-7(17)5-4(15)3-13-6(5)16;1-3-2;1-2/h4-5,15H,1-3H2,(H,13,16)(H,14,17);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane?
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane has a molecular weight of 342.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane is sourced from PubChem (CID 142438437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).