[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C21H27NO2 — CID 11529923

IUPAC[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C
InChIInChI=1S/C21H27NO2/c1-20(2)19(21(20,3)4)18(23)16-12-22(11-14-9-10-24-13-14)17-8-6-5-7-15(16)17/h5-8,12,14,19H,9-11,13H2,1-4H3
InChIKeyRKJJVEGZZUFFPU-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.54
Rot. Bonds4

About [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11529923) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11529923
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C
InChIInChI=1S/C21H27NO2/c1-20(2)19(21(20,3)4)18(23)16-12-22(11-14-9-10-24-13-14)17-8-6-5-7-15(16)17/h5-8,12,14,19H,9-11,13H2,1-4H3
InChIKeyRKJJVEGZZUFFPU-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11529923) is [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is RKJJVEGZZUFFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(2)19(21(20,3)4)18(23)16-12-22(11-14-9-10-24-13-14)17-8-6-5-7-15(16)17/h5-8,12,14,19H,9-11,13H2,1-4H3.
What are the key properties of [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 325.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11529923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).