2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one

C17H21NO — CID 84635769

IUPAC2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one
SMILESCCc1ccc2c(c1)c(CC1CCCC1=O)cn2C
InChIInChI=1S/C17H21NO/c1-3-12-7-8-16-15(9-12)14(11-18(16)2)10-13-5-4-6-17(13)19/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyPGWNCDZHTHZYBC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.65
Rot. Bonds3

About 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one

2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84635769) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one
PubChem CID84635769
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one
SMILESCCc1ccc2c(c1)c(CC1CCCC1=O)cn2C
InChIInChI=1S/C17H21NO/c1-3-12-7-8-16-15(9-12)14(11-18(16)2)10-13-5-4-6-17(13)19/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyPGWNCDZHTHZYBC-UHFFFAOYSA-N
XLogP3.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoro-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84631908
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
2-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-one
CID 79748822
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
CID 122367887
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one (CID 84635769) is 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one is CCc1ccc2c(c1)c(CC1CCCC1=O)cn2C.
What is the InChIKey of 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is PGWNCDZHTHZYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-12-7-8-16-15(9-12)14(11-18(16)2)10-13-5-4-6-17(13)19/h7-9,11,13H,3-6,10H2,1-2H3.
What are the key properties of 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one?
2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).