1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol

C11H17NO — CID 134292304

IUPAC1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol
SMILESC/C=C(/C)N1C=C(O)C=C(C)C1C
InChIInChI=1S/C11H17NO/c1-5-9(3)12-7-11(13)6-8(2)10(12)4/h5-7,10,13H,1-4H3/b9-5-
InChIKeyLRGQASHJIWIVMT-UITAMQMPSA-N
MW179.26 g/mol
LogP2.96
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol

1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol (PubChem CID 134292304) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol
PubChem CID134292304
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol
SMILESC/C=C(/C)N1C=C(O)C=C(C)C1C
InChIInChI=1S/C11H17NO/c1-5-9(3)12-7-11(13)6-8(2)10(12)4/h5-7,10,13H,1-4H3/b9-5-
InChIKeyLRGQASHJIWIVMT-UITAMQMPSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol (CID 134292304) is 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol is C/C=C(/C)N1C=C(O)C=C(C)C1C.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol?
The InChIKey is LRGQASHJIWIVMT-UITAMQMPSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9(3)12-7-11(13)6-8(2)10(12)4/h5-7,10,13H,1-4H3/b9-5-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol?
1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol has a molecular weight of 179.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol is sourced from PubChem (CID 134292304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).