(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one

C12H15NO2 — CID 45272531

IUPAC(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
SMILESCCCCC(=O)/C=C(\O)c1cccnc1
InChIInChI=1S/C12H15NO2/c1-2-3-6-11(14)8-12(15)10-5-4-7-13-9-10/h4-5,7-9,15H,2-3,6H2,1H3/b12-8-
InChIKeyMOIWCVWYPMQKDB-WQLSENKSSA-N
MW205.26 g/mol
LogP2.74
Rot. Bonds5

About (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one

(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one (PubChem CID 45272531) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
PubChem CID45272531
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
SMILESCCCCC(=O)/C=C(\O)c1cccnc1
InChIInChI=1S/C12H15NO2/c1-2-3-6-11(14)8-12(15)10-5-4-7-13-9-10/h4-5,7-9,15H,2-3,6H2,1H3/b12-8-
InChIKeyMOIWCVWYPMQKDB-WQLSENKSSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoic acid
CID 74709093
1,1-diphenylhept-1-en-3-one
CID 69091035
1-pyridin-3-ylundecan-1-one
CID 19756112
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618

Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one (CID 45272531) is (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one is CCCCC(=O)/C=C(\O)c1cccnc1.
What is the InChIKey of (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one?
The InChIKey is MOIWCVWYPMQKDB-WQLSENKSSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-6-11(14)8-12(15)10-5-4-7-13-9-10/h4-5,7-9,15H,2-3,6H2,1H3/b12-8-.
What are the key properties of (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one?
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one has a molecular weight of 205.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one is sourced from PubChem (CID 45272531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).