(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H33NO — CID 118796527

IUPAC(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-16-18(17-13-10-11-14-19(17)24)20(25)21-22(2,3)23(21,4)5/h10-11,13-14,16,21H,6-9,12,15H2,1-5H3
InChIKeyVMYRYXPWWCSDCO-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.48
Rot. Bonds8

About (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 118796527) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID118796527
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-16-18(17-13-10-11-14-19(17)24)20(25)21-22(2,3)23(21,4)5/h10-11,13-14,16,21H,6-9,12,15H2,1-5H3
InChIKeyVMYRYXPWWCSDCO-UHFFFAOYSA-N
XLogP6.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
Jwh 015
CID 4273754
(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

Frequently Asked Questions

What is the IUPAC name of (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 118796527) is (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CCCCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is VMYRYXPWWCSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-16-18(17-13-10-11-14-19(17)24)20(25)21-22(2,3)23(21,4)5/h10-11,13-14,16,21H,6-9,12,15H2,1-5H3.
What are the key properties of (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 339.52 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 118796527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).