4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one

C11H12FNO — CID 122543542

IUPAC4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)cc(F)c1C(C)C
InChIInChI=1S/C11H12FNO/c1-4-5-9-11(7(2)3)8(12)6-10(14)13-9/h6-7H,1-3H3,(H,13,14)
InChIKeyJANLLYHHNOVVKZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.01
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one

4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one (PubChem CID 122543542) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
PubChem CID122543542
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)cc(F)c1C(C)C
InChIInChI=1S/C11H12FNO/c1-4-5-9-11(7(2)3)8(12)6-10(14)13-9/h6-7H,1-3H3,(H,13,14)
InChIKeyJANLLYHHNOVVKZ-UHFFFAOYSA-N
XLogP2.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one (CID 122543542) is 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one is CC#Cc1[nH]c(=O)cc(F)c1C(C)C.
What is the InChIKey of 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The InChIKey is JANLLYHHNOVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-4-5-9-11(7(2)3)8(12)6-10(14)13-9/h6-7H,1-3H3,(H,13,14).
What are the key properties of 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one is sourced from PubChem (CID 122543542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).