(3S)-1,2,3,4-tetrahydroquinolin-3-ol

C9H11NO — CID 25223044

IUPAC(3S)-1,2,3,4-tetrahydroquinolin-3-ol
SMILESO[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,8,10-11H,5-6H2/t8-/m0/s1
InChIKeyBCUWDJPRIHGCRN-QMMMGPOBSA-N
MW149.19 g/mol
LogP1.02
Rot. Bonds

About (3S)-1,2,3,4-tetrahydroquinolin-3-ol

(3S)-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 25223044) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3S)-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3S)-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID25223044
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3S)-1,2,3,4-tetrahydroquinolin-3-ol
SMILESO[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,8,10-11H,5-6H2/t8-/m0/s1
InChIKeyBCUWDJPRIHGCRN-QMMMGPOBSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3S)-1,2,3,4-tetrahydroquinolin-3-ol (CID 25223044) is (3S)-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3S)-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3S)-1,2,3,4-tetrahydroquinolin-3-ol is O[C@@H]1CNc2ccccc2C1.
What is the InChIKey of (3S)-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is BCUWDJPRIHGCRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-4,8,10-11H,5-6H2/t8-/m0/s1.
What are the key properties of (3S)-1,2,3,4-tetrahydroquinolin-3-ol?
(3S)-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 149.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 25223044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).