(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one

C14H19NO2 — CID 165143146

IUPAC(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one
SMILESC=C1C=C(O)C=CN1/C(=C\C(C)CC)C(C)=O
InChIInChI=1S/C14H19NO2/c1-5-10(2)8-14(12(4)16)15-7-6-13(17)9-11(15)3/h6-10,17H,3,5H2,1-2,4H3/b14-8-
InChIKeyAJYWSSOHEMDKHQ-ZSOIEALJSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds4

About (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one

(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one (PubChem CID 165143146) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one
PubChem CID165143146
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one
SMILESC=C1C=C(O)C=CN1/C(=C\C(C)CC)C(C)=O
InChIInChI=1S/C14H19NO2/c1-5-10(2)8-14(12(4)16)15-7-6-13(17)9-11(15)3/h6-10,17H,3,5H2,1-2,4H3/b14-8-
InChIKeyAJYWSSOHEMDKHQ-ZSOIEALJSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one?
The IUPAC name of (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one (CID 165143146) is (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one.
What is the SMILES notation for (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one?
The canonical SMILES for (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one is C=C1C=C(O)C=CN1/C(=C\C(C)CC)C(C)=O.
What is the InChIKey of (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one?
The InChIKey is AJYWSSOHEMDKHQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-10(2)8-14(12(4)16)15-7-6-13(17)9-11(15)3/h6-10,17H,3,5H2,1-2,4H3/b14-8-.
What are the key properties of (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one?
(Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxy-2-methylidene-1-pyridinyl)-5-methylhept-3-en-2-one is sourced from PubChem (CID 165143146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).