1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one

C12H16FNO — CID 157368115

IUPAC1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2C[C@@H]2F)c1=O
InChIInChI=1S/C12H16FNO/c1-8(2)6-9-4-3-5-14(12(9)15)11-7-10(11)13/h3-5,8,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1
InChIKeySCUNDJDOOXIDHK-QWRGUYRKSA-N
MW209.26 g/mol
LogP2.33
Rot. Bonds3

About 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one

1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157368115) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one
PubChem CID157368115
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2C[C@@H]2F)c1=O
InChIInChI=1S/C12H16FNO/c1-8(2)6-9-4-3-5-14(12(9)15)11-7-10(11)13/h3-5,8,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1
InChIKeySCUNDJDOOXIDHK-QWRGUYRKSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one (CID 157368115) is 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn([C@H]2C[C@@H]2F)c1=O.
What is the InChIKey of 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is SCUNDJDOOXIDHK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(2)6-9-4-3-5-14(12(9)15)11-7-10(11)13/h3-5,8,10-11H,6-7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one?
1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-fluorocyclopropyl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157368115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).