1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol

C11H17NO — CID 141142400

IUPAC1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol
SMILESCCC/C=C/C1=CC(O)=CN(C)C1
InChIInChI=1S/C11H17NO/c1-3-4-5-6-10-7-11(13)9-12(2)8-10/h5-7,9,13H,3-4,8H2,1-2H3/b6-5+
InChIKeyAUQIXVJFZOQHMW-AATRIKPKSA-N
MW179.26 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol

1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol (PubChem CID 141142400) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol.

Molecular Properties

Compound Name1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol
PubChem CID141142400
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol
SMILESCCC/C=C/C1=CC(O)=CN(C)C1
InChIInChI=1S/C11H17NO/c1-3-4-5-6-10-7-11(13)9-12(2)8-10/h5-7,9,13H,3-4,8H2,1-2H3/b6-5+
InChIKeyAUQIXVJFZOQHMW-AATRIKPKSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(Dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
CID 87695405
6-[(Dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
CID 87695425
6-(Diethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
CID 87695525
6-(Dimethylaminomethylidene)cyclohexa-1,3-diene-1,2-diol
CID 87695610
6-[[Bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
CID 87699094
6-[[Bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-diene-1,2-diol
CID 88037785
3-(Dimethylaminomethylidene)-2-ethenylcyclohexa-1,5-dien-1-ol
CID 88293920
4-(Dimethylaminomethylidene)-2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 88359701
4-(Dimethylaminomethylidene)-6-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 88359726
6-(Dimethylaminomethylidene)cyclohexa-1,3-dien-1-ol
CID 88456862
4-[(Dibutylamino)methylidene]-2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 88489071
3-(Diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
CID 89265185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol?
The IUPAC name of 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol (CID 141142400) is 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol.
What is the SMILES notation for 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol?
The canonical SMILES for 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol is CCC/C=C/C1=CC(O)=CN(C)C1.
What is the InChIKey of 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol?
The InChIKey is AUQIXVJFZOQHMW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-5-6-10-7-11(13)9-12(2)8-10/h5-7,9,13H,3-4,8H2,1-2H3/b6-5+.
What are the key properties of 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol?
1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol has a molecular weight of 179.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol is sourced from PubChem (CID 141142400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).