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

C21H29NO2 — CID 132989410

IUPAC[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCC(O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C21H29NO2/c1-6-9-14(23)12-22-13-16(15-10-7-8-11-17(15)22)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19,23H,6,9,12H2,1-5H3
InChIKeyZEPXGQZTNGWWTF-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.67
Rot. Bonds6

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

[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 132989410) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID132989410
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCC(O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C21H29NO2/c1-6-9-14(23)12-22-13-16(15-10-7-8-11-17(15)22)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19,23H,6,9,12H2,1-5H3
InChIKeyZEPXGQZTNGWWTF-UHFFFAOYSA-N
XLogP4.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 132989410) is [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CCCC(O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is ZEPXGQZTNGWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-6-9-14(23)12-22-13-16(15-10-7-8-11-17(15)22)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19,23H,6,9,12H2,1-5H3.
What are the key properties of [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 327.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 132989410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).