1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one

C15H23FN2O — CID 157368122

IUPAC1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C15H23FN2O/c1-12(2)10-13-4-3-7-18(15(13)19)14-5-8-17(11-14)9-6-16/h3-4,7,12,14H,5-6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyHZRQEVNWVDFXEN-AWEZNQCLSA-N
MW266.36 g/mol
LogP2.26
Rot. Bonds5

About 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157368122) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
PubChem CID157368122
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C15H23FN2O/c1-12(2)10-13-4-3-7-18(15(13)19)14-5-8-17(11-14)9-6-16/h3-4,7,12,14H,5-6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyHZRQEVNWVDFXEN-AWEZNQCLSA-N
XLogP2.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one (CID 157368122) is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn([C@H]2CCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is HZRQEVNWVDFXEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)10-13-4-3-7-18(15(13)19)14-5-8-17(11-14)9-6-16/h3-4,7,12,14H,5-6,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157368122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).