cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone

C18H23NO — CID 82278814

IUPACcyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone
SMILESCC(C)c1cccc2c(C(=O)C3CCCC3)cn(C)c12
InChIInChI=1S/C18H23NO/c1-12(2)14-9-6-10-15-16(11-19(3)17(14)15)18(20)13-7-4-5-8-13/h6,9-13H,4-5,7-8H2,1-3H3
InChIKeyGBKKPGISDWXJLU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.67
Rot. Bonds3

About cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone

cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone (PubChem CID 82278814) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone
PubChem CID82278814
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Namecyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone
SMILESCC(C)c1cccc2c(C(=O)C3CCCC3)cn(C)c12
InChIInChI=1S/C18H23NO/c1-12(2)14-9-6-10-15-16(11-19(3)17(14)15)18(20)13-7-4-5-8-13/h6,9-13H,4-5,7-8H2,1-3H3
InChIKeyGBKKPGISDWXJLU-UHFFFAOYSA-N
XLogP4.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone?
The IUPAC name of cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone (CID 82278814) is cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone.
What is the SMILES notation for cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone?
The canonical SMILES for cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone is CC(C)c1cccc2c(C(=O)C3CCCC3)cn(C)c12.
What is the InChIKey of cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone?
The InChIKey is GBKKPGISDWXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)14-9-6-10-15-16(11-19(3)17(14)15)18(20)13-7-4-5-8-13/h6,9-13H,4-5,7-8H2,1-3H3.
What are the key properties of cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone?
cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone has a molecular weight of 269.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1-methyl-7-propan-2-ylindol-3-yl)methanone is sourced from PubChem (CID 82278814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).