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

C15H17NO — CID 84625328

IUPAC2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCc1ccc2c(CC3CCCC3=O)c[nH]c2c1
InChIInChI=1S/C15H17NO/c1-10-5-6-13-12(9-16-14(13)7-10)8-11-3-2-4-15(11)17/h5-7,9,11,16H,2-4,8H2,1H3
InChIKeyCXVQITNSASFNIH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.39
Rot. Bonds2

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

2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84625328) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
PubChem CID84625328
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCc1ccc2c(CC3CCCC3=O)c[nH]c2c1
InChIInChI=1S/C15H17NO/c1-10-5-6-13-12(9-16-14(13)7-10)8-11-3-2-4-15(11)17/h5-7,9,11,16H,2-4,8H2,1H3
InChIKeyCXVQITNSASFNIH-UHFFFAOYSA-N
XLogP3.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84630870
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84630302
5-[(6-methyl-1H-indol-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 143089116
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
3-cyclopropyl-7-methyl-1H-quinolin-4-one
CID 156532948
2-[(6-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84644854
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (CID 84625328) is 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is Cc1ccc2c(CC3CCCC3=O)c[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is CXVQITNSASFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-5-6-13-12(9-16-14(13)7-10)8-11-3-2-4-15(11)17/h5-7,9,11,16H,2-4,8H2,1H3.
What are the key properties of 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84625328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).