[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol

C13H17NO — CID 90182718

IUPAC[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1c1ccc2c(n1)CCCC2
InChIInChI=1S/C13H17NO/c15-8-10-7-11(10)13-6-5-9-3-1-2-4-12(9)14-13/h5-6,10-11,15H,1-4,7-8H2/t10-,11+/m1/s1
InChIKeyBJNCYAADLYJZEE-MNOVXSKESA-N
MW203.28 g/mol
LogP2.06
Rot. Bonds2

About [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol

[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol (PubChem CID 90182718) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol
PubChem CID90182718
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1c1ccc2c(n1)CCCC2
InChIInChI=1S/C13H17NO/c15-8-10-7-11(10)13-6-5-9-3-1-2-4-12(9)14-13/h5-6,10-11,15H,1-4,7-8H2/t10-,11+/m1/s1
InChIKeyBJNCYAADLYJZEE-MNOVXSKESA-N
XLogP2.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol (CID 90182718) is [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol is OC[C@H]1C[C@@H]1c1ccc2c(n1)CCCC2.
What is the InChIKey of [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol?
The InChIKey is BJNCYAADLYJZEE-MNOVXSKESA-N. The full InChI is InChI=1S/C13H17NO/c15-8-10-7-11(10)13-6-5-9-3-1-2-4-12(9)14-13/h5-6,10-11,15H,1-4,7-8H2/t10-,11+/m1/s1.
What are the key properties of [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol?
[(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol has a molecular weight of 203.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(5,6,7,8-tetrahydroquinolin-2-yl)cyclopropyl]methanol is sourced from PubChem (CID 90182718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).