cyclopropyl(quinolin-2-yl)methanol

C13H13NO — CID 513396

IUPACcyclopropyl(quinolin-2-yl)methanol
SMILESOC(c1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C13H13NO/c15-13(10-5-6-10)12-8-7-9-3-1-2-4-11(9)14-12/h1-4,7-8,10,13,15H,5-6H2
InChIKeyMDDZNPYQNIKQAW-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.68
Rot. Bonds2

About cyclopropyl(quinolin-2-yl)methanol

cyclopropyl(quinolin-2-yl)methanol (PubChem CID 513396) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is cyclopropyl(quinolin-2-yl)methanol.

Molecular Properties

Compound Namecyclopropyl(quinolin-2-yl)methanol
PubChem CID513396
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Namecyclopropyl(quinolin-2-yl)methanol
SMILESOC(c1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C13H13NO/c15-13(10-5-6-10)12-8-7-9-3-1-2-4-11(9)14-12/h1-4,7-8,10,13,15H,5-6H2
InChIKeyMDDZNPYQNIKQAW-UHFFFAOYSA-N
XLogP2.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(quinolin-2-yl)methanol?
The IUPAC name of cyclopropyl(quinolin-2-yl)methanol (CID 513396) is cyclopropyl(quinolin-2-yl)methanol.
What is the SMILES notation for cyclopropyl(quinolin-2-yl)methanol?
The canonical SMILES for cyclopropyl(quinolin-2-yl)methanol is OC(c1ccc2ccccc2n1)C1CC1.
What is the InChIKey of cyclopropyl(quinolin-2-yl)methanol?
The InChIKey is MDDZNPYQNIKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13(10-5-6-10)12-8-7-9-3-1-2-4-11(9)14-12/h1-4,7-8,10,13,15H,5-6H2.
What are the key properties of cyclopropyl(quinolin-2-yl)methanol?
cyclopropyl(quinolin-2-yl)methanol has a molecular weight of 199.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(quinolin-2-yl)methanol is sourced from PubChem (CID 513396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).