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

C23H31NO3 — CID 24768507

IUPAC[5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C
InChIInChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(26)18-13-24(12-15-7-9-27-10-8-15)19-6-5-16(14-25)11-17(18)19/h5-6,11,13,15,21,25H,7-10,12,14H2,1-4H3
InChIKeyQCHYCIPXDVXRRX-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.43
Rot. Bonds5

About [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768507) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768507
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name[5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C
InChIInChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(26)18-13-24(12-15-7-9-27-10-8-15)19-6-5-16(14-25)11-17(18)19/h5-6,11,13,15,21,25H,7-10,12,14H2,1-4H3
InChIKeyQCHYCIPXDVXRRX-UHFFFAOYSA-N
XLogP4.43
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768507) is [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C.
What is the InChIKey of [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is QCHYCIPXDVXRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(26)18-13-24(12-15-7-9-27-10-8-15)19-6-5-16(14-25)11-17(18)19/h5-6,11,13,15,21,25H,7-10,12,14H2,1-4H3.
What are the key properties of [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 369.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).