2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one

C15H17NO2 — CID 84630870

IUPAC2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCOc1ccc2c(CC3CCCC3=O)c[nH]c2c1
InChIInChI=1S/C15H17NO2/c1-18-12-5-6-13-11(9-16-14(13)8-12)7-10-3-2-4-15(10)17/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyWYSLFERDJMJRFN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds3

About 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one

2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84630870) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
PubChem CID84630870
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCOc1ccc2c(CC3CCCC3=O)c[nH]c2c1
InChIInChI=1S/C15H17NO2/c1-18-12-5-6-13-11(9-16-14(13)8-12)7-10-3-2-4-15(10)17/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyWYSLFERDJMJRFN-UHFFFAOYSA-N
XLogP3.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84636641
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 110852767

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one (CID 84630870) is 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one is COc1ccc2c(CC3CCCC3=O)c[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is WYSLFERDJMJRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-12-5-6-13-11(9-16-14(13)8-12)7-10-3-2-4-15(10)17/h5-6,8-10,16H,2-4,7H2,1H3.
What are the key properties of 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one?
2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84630870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).