4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol

C9H13NO — CID 146478570

IUPAC4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol
SMILESC=C(C)CC1=CC(O)NC=C1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,6,9-11H,1,5H2,2H3
InChIKeyWTKHULHIUOPFIJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.31
Rot. Bonds2

About 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol

4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol (PubChem CID 146478570) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol
PubChem CID146478570
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol
SMILESC=C(C)CC1=CC(O)NC=C1
InChIInChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,6,9-11H,1,5H2,2H3
InChIKeyWTKHULHIUOPFIJ-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol?
The IUPAC name of 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol (CID 146478570) is 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol?
The canonical SMILES for 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol is C=C(C)CC1=CC(O)NC=C1.
What is the InChIKey of 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol?
The InChIKey is WTKHULHIUOPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)5-8-3-4-10-9(11)6-8/h3-4,6,9-11H,1,5H2,2H3.
What are the key properties of 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol?
4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enyl)-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 146478570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).