[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C18H24N2O — CID 99811059

IUPAC[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3C[C@H](C)CCC[C@@H]3C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3/t13-,14+/m1/s1
InChIKeyWYYZQHFNYRQOGX-KGLIPLIRSA-N
MW284.40 g/mol
LogP4.13
Rot. Bonds1

About [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 99811059) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
PubChem CID99811059
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3C[C@H](C)CCC[C@@H]3C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3/t13-,14+/m1/s1
InChIKeyWYYZQHFNYRQOGX-KGLIPLIRSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 99811059) is [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3C[C@H](C)CCC[C@@H]3C)[nH]c2c1.
What is the InChIKey of [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is WYYZQHFNYRQOGX-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 99811059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).