1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone

C12H13NO2 — CID 124630057

IUPAC1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@@H]2O[C@H]2[C@@H]1C
InChIInChI=1S/C12H13NO2/c1-7-11-12(15-11)9-5-3-4-6-10(9)13(7)8(2)14/h3-7,11-12H,1-2H3/t7-,11-,12-/m0/s1
InChIKeyHUYBYZOPWRMUER-QILRFPOHSA-N
MW203.24 g/mol
LogP1.88
Rot. Bonds

About 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone

1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone (PubChem CID 124630057) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
PubChem CID124630057
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@@H]2O[C@H]2[C@@H]1C
InChIInChI=1S/C12H13NO2/c1-7-11-12(15-11)9-5-3-4-6-10(9)13(7)8(2)14/h3-7,11-12H,1-2H3/t7-,11-,12-/m0/s1
InChIKeyHUYBYZOPWRMUER-QILRFPOHSA-N
XLogP1.88
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 15181609
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
CID 12009231
1-(6-hydroxy-6H-phenanthridin-5-yl)ethanone
CID 14452374
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
1-(2-cyclopropyl-4-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 139325866
1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660542
1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone
CID 163554942
1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
CID 146675585

Frequently Asked Questions

What is the IUPAC name of 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone?
The IUPAC name of 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone (CID 124630057) is 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone is CC(=O)N1c2ccccc2[C@@H]2O[C@H]2[C@@H]1C.
What is the InChIKey of 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone?
The InChIKey is HUYBYZOPWRMUER-QILRFPOHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-11-12(15-11)9-5-3-4-6-10(9)13(7)8(2)14/h3-7,11-12H,1-2H3/t7-,11-,12-/m0/s1.
What are the key properties of 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone?
1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone has a molecular weight of 203.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone is sourced from PubChem (CID 124630057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).