2-cinnolin-4-yl-1-cyclopropylethanol

C13H14N2O — CID 63587148

IUPAC2-cinnolin-4-yl-1-cyclopropylethanol
SMILESOC(Cc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H14N2O/c16-13(9-5-6-9)7-10-8-14-15-12-4-2-1-3-11(10)12/h1-4,8-9,13,16H,5-7H2
InChIKeyWPZWHRRSKBOBOR-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.94
Rot. Bonds3

About 2-cinnolin-4-yl-1-cyclopropylethanol

2-cinnolin-4-yl-1-cyclopropylethanol (PubChem CID 63587148) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-cinnolin-4-yl-1-cyclopropylethanol.

Molecular Properties

Compound Name2-cinnolin-4-yl-1-cyclopropylethanol
PubChem CID63587148
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-cinnolin-4-yl-1-cyclopropylethanol
SMILESOC(Cc1cnnc2ccccc12)C1CC1
InChIInChI=1S/C13H14N2O/c16-13(9-5-6-9)7-10-8-14-15-12-4-2-1-3-11(10)12/h1-4,8-9,13,16H,5-7H2
InChIKeyWPZWHRRSKBOBOR-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-yl-1-cyclopropylethanol?
The IUPAC name of 2-cinnolin-4-yl-1-cyclopropylethanol (CID 63587148) is 2-cinnolin-4-yl-1-cyclopropylethanol.
What is the SMILES notation for 2-cinnolin-4-yl-1-cyclopropylethanol?
The canonical SMILES for 2-cinnolin-4-yl-1-cyclopropylethanol is OC(Cc1cnnc2ccccc12)C1CC1.
What is the InChIKey of 2-cinnolin-4-yl-1-cyclopropylethanol?
The InChIKey is WPZWHRRSKBOBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13(9-5-6-9)7-10-8-14-15-12-4-2-1-3-11(10)12/h1-4,8-9,13,16H,5-7H2.
What are the key properties of 2-cinnolin-4-yl-1-cyclopropylethanol?
2-cinnolin-4-yl-1-cyclopropylethanol has a molecular weight of 214.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-yl-1-cyclopropylethanol is sourced from PubChem (CID 63587148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).