2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one

C15H20N2O — CID 63778059

IUPAC2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one
SMILESCN1CCN(CC2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-9-10-17(11-12-5-4-8-15(12)18)14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyLTCWQQCZDZNQJE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds2

About 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one

2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one (PubChem CID 63778059) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one
PubChem CID63778059
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one
SMILESCN1CCN(CC2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O/c1-16-9-10-17(11-12-5-4-8-15(12)18)14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyLTCWQQCZDZNQJE-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one (CID 63778059) is 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one is CN1CCN(CC2CCCC2=O)c2ccccc21.
What is the InChIKey of 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is LTCWQQCZDZNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-10-17(11-12-5-4-8-15(12)18)14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one?
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 63778059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).