ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol

C14H17NO — CID 142035517

IUPACethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
SMILESCC.OC/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11NO.C2H6/c14-7-3-4-10-8-11-5-1-2-6-12(11)13-9-10;1-2/h1-6,8-9,14H,7H2;1-2H3/b4-3+;
InChIKeyDBOCBYQBFNRPOX-BJILWQEISA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol

ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol (PubChem CID 142035517) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Nameethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
PubChem CID142035517
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Nameethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
SMILESCC.OC/C=C/c1cnc2ccccc2c1
InChIInChI=1S/C12H11NO.C2H6/c14-7-3-4-10-8-11-5-1-2-6-12(11)13-9-10;1-2/h1-6,8-9,14H,7H2;1-2H3/b4-3+;
InChIKeyDBOCBYQBFNRPOX-BJILWQEISA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol?
The IUPAC name of ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol (CID 142035517) is ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol.
What is the SMILES notation for ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol?
The canonical SMILES for ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol is CC.OC/C=C/c1cnc2ccccc2c1.
What is the InChIKey of ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol?
The InChIKey is DBOCBYQBFNRPOX-BJILWQEISA-N. The full InChI is InChI=1S/C12H11NO.C2H6/c14-7-3-4-10-8-11-5-1-2-6-12(11)13-9-10;1-2/h1-6,8-9,14H,7H2;1-2H3/b4-3+;.
What are the key properties of ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol?
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 142035517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).