1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

C21H27F3N2O3 — CID 155833256

IUPAC1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1C(=O)C2(CCN(CC3CC3)C2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N2O.C2HF3O2/c1-14(2)11-21-17-6-4-3-5-16(17)19(18(21)22)9-10-20(13-19)12-15-7-8-15;3-2(4,5)1(6)7/h3-6,14-15H,7-13H2,1-2H3;(H,6,7)
InChIKeyGJQJTMRNTPHSGN-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.68
Rot. Bonds4

About 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155833256) has the molecular formula C21H27F3N2O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
PubChem CID155833256
Molecular FormulaC21H27F3N2O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1C(=O)C2(CCN(CC3CC3)C2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N2O.C2HF3O2/c1-14(2)11-21-17-6-4-3-5-16(17)19(18(21)22)9-10-20(13-19)12-15-7-8-15;3-2(4,5)1(6)7/h3-6,14-15H,7-13H2,1-2H3;(H,6,7)
InChIKeyGJQJTMRNTPHSGN-UHFFFAOYSA-N
XLogP3.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 118744920
1'-(furan-3-ylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 118743280
1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155834622
1'-(cyclopropylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134788995
(3R)-1'-[(1R,2R)-2-methylcyclopropanecarbonyl]-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 124825124
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
1'-(cyclohexylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134791375
1-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131657552
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
1-(cyclopropylmethyl)-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131659559
N-[2-(dimethylamino)ethyl]-1'-(2-methylpropyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155836128

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (CID 155833256) is 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is CC(C)CN1C(=O)C2(CCN(CC3CC3)C2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is GJQJTMRNTPHSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.C2HF3O2/c1-14(2)11-21-17-6-4-3-5-16(17)19(18(21)22)9-10-20(13-19)12-15-7-8-15;3-2(4,5)1(6)7/h3-6,14-15H,7-13H2,1-2H3;(H,6,7).
What are the key properties of 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 412.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).