(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C17H21NO — CID 24823778

IUPAC(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ccc2c(C(=O)C3C(C)(C)C3(C)C)c[nH]c2c1
InChIInChI=1S/C17H21NO/c1-10-6-7-11-12(9-18-13(11)8-10)14(19)15-16(2,3)17(15,4)5/h6-9,15,18H,1-5H3
InChIKeyZZMWXSNYRYHMAV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.34
Rot. Bonds2

About (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24823778) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24823778
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ccc2c(C(=O)C3C(C)(C)C3(C)C)c[nH]c2c1
InChIInChI=1S/C17H21NO/c1-10-6-7-11-12(9-18-13(11)8-10)14(19)15-16(2,3)17(15,4)5/h6-9,15,18H,1-5H3
InChIKeyZZMWXSNYRYHMAV-UHFFFAOYSA-N
XLogP4.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
CID 62799734
2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
(1,1-dioxothian-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 104518071
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
3-but-1-en-2-yl-6-methyl-1H-indole
CID 167211722
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24823778) is (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)c[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is ZZMWXSNYRYHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-10-6-7-11-12(9-18-13(11)8-10)14(19)15-16(2,3)17(15,4)5/h6-9,15,18H,1-5H3.
What are the key properties of (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 255.36 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24823778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).