1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol

C13H19NO2 — CID 116660006

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-5-6-11(15)7-12-10(3)13(16-4)9(2)8-14-12/h5,8,11,15H,1,6-7H2,2-4H3
InChIKeyOCSLALAKJMNVFG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol (PubChem CID 116660006) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
PubChem CID116660006
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H19NO2/c1-5-6-11(15)7-12-10(3)13(16-4)9(2)8-14-12/h5,8,11,15H,1,6-7H2,2-4H3
InChIKeyOCSLALAKJMNVFG-UHFFFAOYSA-N
XLogP2.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 62608610
1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
CID 103560077
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol (CID 116660006) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol is C=CCC(O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol?
The InChIKey is OCSLALAKJMNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-6-11(15)7-12-10(3)13(16-4)9(2)8-14-12/h5,8,11,15H,1,6-7H2,2-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol has a molecular weight of 221.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol is sourced from PubChem (CID 116660006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).