1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one

C22H28N2O2 — CID 11588379

IUPAC1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCC3=O)c3ccccc23)C1(C)C
InChIInChI=1S/C22H28N2O2/c1-21(2)20(22(21,3)4)19(26)16-14-24(17-9-6-5-8-15(16)17)13-12-23-11-7-10-18(23)25/h5-6,8-9,14,20H,7,10-13H2,1-4H3
InChIKeyLSAOZBCBKOHDGZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.13
Rot. Bonds5

About 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one

1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 11588379) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID11588379
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one
SMILESCC1(C)C(C(=O)c2cn(CCN3CCCC3=O)c3ccccc23)C1(C)C
InChIInChI=1S/C22H28N2O2/c1-21(2)20(22(21,3)4)19(26)16-14-24(17-9-6-5-8-15(16)17)13-12-23-11-7-10-18(23)25/h5-6,8-9,14,20H,7,10-13H2,1-4H3
InChIKeyLSAOZBCBKOHDGZ-UHFFFAOYSA-N
XLogP4.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one (CID 11588379) is 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one is CC1(C)C(C(=O)c2cn(CCN3CCCC3=O)c3ccccc23)C1(C)C.
What is the InChIKey of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LSAOZBCBKOHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-21(2)20(22(21,3)4)19(26)16-14-24(17-9-6-5-8-15(16)17)13-12-23-11-7-10-18(23)25/h5-6,8-9,14,20H,7,10-13H2,1-4H3.
What are the key properties of 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 11588379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).