5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol

C11H17NO2 — CID 144577777

IUPAC5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol
SMILESCC(C)=CCOCC1=CNC(O)C=C1
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7,11-13H,6,8H2,1-2H3
InChIKeyXDQSWKQSVCDWPZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.33
Rot. Bonds4

About 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol

5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol (PubChem CID 144577777) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol
PubChem CID144577777
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol
SMILESCC(C)=CCOCC1=CNC(O)C=C1
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7,11-13H,6,8H2,1-2H3
InChIKeyXDQSWKQSVCDWPZ-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1,2-dihydropyridin-2-ol
CID 45039472
2-Methoxy-4,5-dimethyl-1,2-dihydropyridine
CID 70287109
Ethane;5-methyl-1,2-dihydropyridin-2-ol
CID 91537048
2-Methoxy-5-methyl-1,2-dihydropyridine
CID 122692021
ethane;5-(methoxymethyl)-1,2-dihydropyridine;(1Z,3E)-3-(methoxymethyl)penta-1,3-dien-1-amine
CID 141888058
[5-(Methoxymethyl)-1,2-dihydropyridin-3-yl]methanol
CID 141888062
5-Ethyl-1,2-dihydropyridin-2-ol
CID 143686900
N-methylmethanamine;5-methyl-2-propoxy-1,2-dihydropyridine
CID 144086984
Ethane;2-methoxy-5-methyl-1,2-dihydropyridine
CID 144306405
(E)-1-amino-4-methyl-2-[(Z)-3-propoxyprop-1-enyl]pent-2-en-1-ol;methoxymethane
CID 144486619
5-Propyl-1,2-dihydropyridin-2-ol
CID 148992183
Ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol
CID 164602647

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol?
The IUPAC name of 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol (CID 144577777) is 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol?
The canonical SMILES for 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol is CC(C)=CCOCC1=CNC(O)C=C1.
What is the InChIKey of 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol?
The InChIKey is XDQSWKQSVCDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7,11-13H,6,8H2,1-2H3.
What are the key properties of 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol?
5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 144577777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).