(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol

C11H15NO2 — CID 138973006

IUPAC(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol
SMILESC=CC[C@](C)(O)c1ccc(OC)nc1
InChIInChI=1S/C11H15NO2/c1-4-7-11(2,13)9-5-6-10(14-3)12-8-9/h4-6,8,13H,1,7H2,2-3H3/t11-/m0/s1
InChIKeyMUNCLLXMGSMUFU-NSHDSACASA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol

(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol (PubChem CID 138973006) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol
PubChem CID138973006
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol
SMILESC=CC[C@](C)(O)c1ccc(OC)nc1
InChIInChI=1S/C11H15NO2/c1-4-7-11(2,13)9-5-6-10(14-3)12-8-9/h4-6,8,13H,1,7H2,2-3H3/t11-/m0/s1
InChIKeyMUNCLLXMGSMUFU-NSHDSACASA-N
XLogP1.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol?
The IUPAC name of (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol (CID 138973006) is (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol.
What is the SMILES notation for (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol?
The canonical SMILES for (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol is C=CC[C@](C)(O)c1ccc(OC)nc1.
What is the InChIKey of (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol?
The InChIKey is MUNCLLXMGSMUFU-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-7-11(2,13)9-5-6-10(14-3)12-8-9/h4-6,8,13H,1,7H2,2-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol?
(2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol has a molecular weight of 193.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxy-3-pyridinyl)pent-4-en-2-ol is sourced from PubChem (CID 138973006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).