2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol

C13H17NO — CID 142961800

IUPAC2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol
SMILESC=Cc1cc(/C=C/C)cnc1C=C.CO
InChIInChI=1S/C12H13N.CH4O/c1-4-7-10-8-11(5-2)12(6-3)13-9-10;1-2/h4-9H,2-3H2,1H3;2H,1H3/b7-4+;
InChIKeyQRWOVGVZUZKUGM-KQGICBIGSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds3

About 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol

2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol (PubChem CID 142961800) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol.

Molecular Properties

Compound Name2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol
PubChem CID142961800
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol
SMILESC=Cc1cc(/C=C/C)cnc1C=C.CO
InChIInChI=1S/C12H13N.CH4O/c1-4-7-10-8-11(5-2)12(6-3)13-9-10;1-2/h4-9H,2-3H2,1H3;2H,1H3/b7-4+;
InChIKeyQRWOVGVZUZKUGM-KQGICBIGSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol?
The IUPAC name of 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol (CID 142961800) is 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol.
What is the SMILES notation for 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol?
The canonical SMILES for 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol is C=Cc1cc(/C=C/C)cnc1C=C.CO.
What is the InChIKey of 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol?
The InChIKey is QRWOVGVZUZKUGM-KQGICBIGSA-N. The full InChI is InChI=1S/C12H13N.CH4O/c1-4-7-10-8-11(5-2)12(6-3)13-9-10;1-2/h4-9H,2-3H2,1H3;2H,1H3/b7-4+;.
What are the key properties of 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol?
2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol has a molecular weight of 203.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-5-[(E)-prop-1-enyl]pyridine;methanol is sourced from PubChem (CID 142961800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).