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

C18H23NO2 — CID 11708992

IUPAC[1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCO)c3ccccc23)C1(C)C
InChIInChI=1S/C18H23NO2/c1-17(2)16(18(17,3)4)15(21)13-11-19(9-10-20)14-8-6-5-7-12(13)14/h5-8,11,16,20H,9-10H2,1-4H3
InChIKeySTILHVATXDOGFT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.50
Rot. Bonds4

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

[1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11708992) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11708992
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCO)c3ccccc23)C1(C)C
InChIInChI=1S/C18H23NO2/c1-17(2)16(18(17,3)4)15(21)13-11-19(9-10-20)14-8-6-5-7-12(13)14/h5-8,11,16,20H,9-10H2,1-4H3
InChIKeySTILHVATXDOGFT-UHFFFAOYSA-N
XLogP3.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11708992) is [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCO)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is STILHVATXDOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17(2)16(18(17,3)4)15(21)13-11-19(9-10-20)14-8-6-5-7-12(13)14/h5-8,11,16,20H,9-10H2,1-4H3.
What are the key properties of [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11708992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).