(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C10H14N2O — CID 89053172

IUPAC(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCN[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C10H14N2O/c1-11-8-3-2-4-9-7(8)5-6-10(13)12-9/h5-6,8,11H,2-4H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZKJHLUMJLGXYBY-QMMMGPOBSA-N
MW178.24 g/mol
LogP0.97
Rot. Bonds1

About (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 89053172) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID89053172
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCN[C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C10H14N2O/c1-11-8-3-2-4-9-7(8)5-6-10(13)12-9/h5-6,8,11H,2-4H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZKJHLUMJLGXYBY-QMMMGPOBSA-N
XLogP0.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 89053172) is (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CN[C@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZKJHLUMJLGXYBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-8-3-2-4-9-7(8)5-6-10(13)12-9/h5-6,8,11H,2-4H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 89053172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).