[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C21H28BrNO — CID 91741279

IUPAC[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCCCCBr)c3ccccc23)C1(C)C
InChIInChI=1S/C21H28BrNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3
InChIKeyHEWSXAZQMCDEMO-UHFFFAOYSA-N
MW390.37 g/mol
LogP6.07
Rot. Bonds7

About [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 91741279) has the molecular formula C21H28BrNO and a molecular weight of 390.37 g/mol. Its IUPAC name is [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID91741279
Molecular FormulaC21H28BrNO
Molecular Weight390.37 g/mol
Exact Mass389.14
IUPAC Name[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCCCCBr)c3ccccc23)C1(C)C
InChIInChI=1S/C21H28BrNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3
InChIKeyHEWSXAZQMCDEMO-UHFFFAOYSA-N
XLogP6.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
Jwh 203
CID 44397500
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 91741279) is [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCCCCBr)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is HEWSXAZQMCDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3.
What are the key properties of [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 390.37 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 91741279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).