(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H18N2O2 — CID 97389868

IUPAC(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CC[C@@H](N[C@H]1CCOC1)C2
InChIInChI=1S/C13H18N2O2/c16-13-4-1-9-7-10(2-3-12(9)15-13)14-11-5-6-17-8-11/h1,4,10-11,14H,2-3,5-8H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyNEFLCLUTTLVJKT-MNOVXSKESA-N
MW234.30 g/mol
LogP0.61
Rot. Bonds2

About (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 97389868) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID97389868
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CC[C@@H](N[C@H]1CCOC1)C2
InChIInChI=1S/C13H18N2O2/c16-13-4-1-9-7-10(2-3-12(9)15-13)14-11-5-6-17-8-11/h1,4,10-11,14H,2-3,5-8H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyNEFLCLUTTLVJKT-MNOVXSKESA-N
XLogP0.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 97389868) is (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CC[C@@H](N[C@H]1CCOC1)C2.
What is the InChIKey of (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is NEFLCLUTTLVJKT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13-4-1-9-7-10(2-3-12(9)15-13)14-11-5-6-17-8-11/h1,4,10-11,14H,2-3,5-8H2,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 97389868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).