N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 156620205

IUPACN-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(C)C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9(2)7-3-4-8-5-7;3-2(4,5)1(6)7/h7-8H,3-5H2,1-2H3;(H,6,7)
InChIKeyVMVKUOWEJDXOOY-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.46
Rot. Bonds1

About N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 156620205) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID156620205
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(C)C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9(2)7-3-4-8-5-7;3-2(4,5)1(6)7/h7-8H,3-5H2,1-2H3;(H,6,7)
InChIKeyVMVKUOWEJDXOOY-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112701336
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
N-cyclopropyl-N-pyrrolidin-3-ylacetamide
CID 66569466
N-methyl-N-pyrrolidin-3-ylprop-2-ynamide
CID 63297797
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (CID 156620205) is N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is CC(=O)N(C)C1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is VMVKUOWEJDXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9(2)7-3-4-8-5-7;3-2(4,5)1(6)7/h7-8H,3-5H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 156620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).