2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone

C13H16N2O — CID 174817555

IUPAC2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone
SMILESO=C(CC1CC1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C13H16N2O/c16-13(7-9-1-2-9)10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,14-15H,1-2,5-7H2
InChIKeyZBNBNAYIPGHXKL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds3

About 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone

2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone (PubChem CID 174817555) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone
PubChem CID174817555
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone
SMILESO=C(CC1CC1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C13H16N2O/c16-13(7-9-1-2-9)10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,14-15H,1-2,5-7H2
InChIKeyZBNBNAYIPGHXKL-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
7-(2-piperidin-4-ylacetyl)-2,4-dihydro-1H-quinolin-3-one
CID 147364827
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638
N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614849
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
CID 103162383
6-(2-cyclobutylacetyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103162574
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone (CID 174817555) is 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone is O=C(CC1CC1)c1ccc2c(c1)NCCN2.
What is the InChIKey of 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone?
The InChIKey is ZBNBNAYIPGHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(7-9-1-2-9)10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,14-15H,1-2,5-7H2.
What are the key properties of 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone?
2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone is sourced from PubChem (CID 174817555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).