2-methyl-1-prop-2-enyl-2H-pyridin-3-ol

C9H13NO — CID 67866577

IUPAC2-methyl-1-prop-2-enyl-2H-pyridin-3-ol
SMILESC=CCN1C=CC=C(O)C1C
InChIInChI=1S/C9H13NO/c1-3-6-10-7-4-5-9(11)8(10)2/h3-5,7-8,11H,1,6H2,2H3
InChIKeyJBYKYVXSBCJDNH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol

2-methyl-1-prop-2-enyl-2H-pyridin-3-ol (PubChem CID 67866577) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-2H-pyridin-3-ol
PubChem CID67866577
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-1-prop-2-enyl-2H-pyridin-3-ol
SMILESC=CCN1C=CC=C(O)C1C
InChIInChI=1S/C9H13NO/c1-3-6-10-7-4-5-9(11)8(10)2/h3-5,7-8,11H,1,6H2,2H3
InChIKeyJBYKYVXSBCJDNH-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol?
The IUPAC name of 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol (CID 67866577) is 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol?
The canonical SMILES for 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol is C=CCN1C=CC=C(O)C1C.
What is the InChIKey of 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol?
The InChIKey is JBYKYVXSBCJDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-6-10-7-4-5-9(11)8(10)2/h3-5,7-8,11H,1,6H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol?
2-methyl-1-prop-2-enyl-2H-pyridin-3-ol has a molecular weight of 151.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-2H-pyridin-3-ol is sourced from PubChem (CID 67866577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).