2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one

C17H21NO — CID 84635790

IUPAC2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCCc1cccc2c(CC3CCCC3=O)c(C)[nH]c12
InChIInChI=1S/C17H21NO/c1-3-12-6-4-8-14-15(11(2)18-17(12)14)10-13-7-5-9-16(13)19/h4,6,8,13,18H,3,5,7,9-10H2,1-2H3
InChIKeyOCMVVIMPNJOOFF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.95
Rot. Bonds3

About 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one

2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (PubChem CID 84635790) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
PubChem CID84635790
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
SMILESCCc1cccc2c(CC3CCCC3=O)c(C)[nH]c12
InChIInChI=1S/C17H21NO/c1-3-12-6-4-8-14-15(11(2)18-17(12)14)10-13-7-5-9-16(13)19/h4,6,8,13,18H,3,5,7,9-10H2,1-2H3
InChIKeyOCMVVIMPNJOOFF-UHFFFAOYSA-N
XLogP3.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one (CID 84635790) is 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is CCc1cccc2c(CC3CCCC3=O)c(C)[nH]c12.
What is the InChIKey of 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is OCMVVIMPNJOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-12-6-4-8-14-15(11(2)18-17(12)14)10-13-7-5-9-16(13)19/h4,6,8,13,18H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one?
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 84635790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).