[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H29NO3 — CID 11494137

IUPAC[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C
InChIInChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3
InChIKeyUXNSOSUWFQBTCO-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.64
Rot. Bonds4

About [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11494137) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11494137
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C
InChIInChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3
InChIKeyUXNSOSUWFQBTCO-UHFFFAOYSA-N
XLogP4.64
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11494137) is [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C.
What is the InChIKey of [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is UXNSOSUWFQBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h5-7,13-14,20,24H,8-12H2,1-4H3.
What are the key properties of [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 355.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11494137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).