(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C14H21F3N2O — CID 95621630

IUPAC(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(C(C1CC1)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O/c1-18(12(9-2-3-9)10-4-5-10)11-6-7-19(13(11)20)8-14(15,16)17/h9-12H,2-8H2,1H3/t11-/m1/s1
InChIKeyLFUHZGZNQKACPR-LLVKDONJSA-N
MW290.33 g/mol
LogP2.27
Rot. Bonds5

About (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 95621630) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID95621630
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCN(C(C1CC1)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O/c1-18(12(9-2-3-9)10-4-5-10)11-6-7-19(13(11)20)8-14(15,16)17/h9-12H,2-8H2,1H3/t11-/m1/s1
InChIKeyLFUHZGZNQKACPR-LLVKDONJSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56787339
(3S)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95621631
1-(Dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972926
1-(Dicyclopropylmethyl)-3-(ethylamino)pyrrolidin-2-one
CID 61551744
1-(Dicyclopropylmethyl)-3-(methylamino)pyrrolidin-2-one
CID 61551745
1-(Dicyclopropylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 64246397
3-(Dicyclopropylmethylamino)-1-methylpyrrolidin-2-one
CID 64267910

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 95621630) is (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CN(C(C1CC1)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is LFUHZGZNQKACPR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-18(12(9-2-3-9)10-4-5-10)11-6-7-19(13(11)20)8-14(15,16)17/h9-12H,2-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 95621630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).