(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one

C12H16FNO — CID 71049765

IUPAC(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CC2=CCC(F)C=C2)NC1=O
InChIInChI=1S/C12H16FNO/c1-8-6-11(14-12(8)15)7-9-2-4-10(13)5-3-9/h2-4,8,10-11H,5-7H2,1H3,(H,14,15)/t8-,10?,11-/m1/s1
InChIKeyJKOXJUFCVRUZNN-OZVHHXTHSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds2

About (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one

(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 71049765) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one
PubChem CID71049765
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CC2=CCC(F)C=C2)NC1=O
InChIInChI=1S/C12H16FNO/c1-8-6-11(14-12(8)15)7-9-2-4-10(13)5-3-9/h2-4,8,10-11H,5-7H2,1H3,(H,14,15)/t8-,10?,11-/m1/s1
InChIKeyJKOXJUFCVRUZNN-OZVHHXTHSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one with MolForge

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Related Compounds

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5-Fluoro-7-methyl-3-propan-2-yl-1,3,7,7a-tetrahydroindol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one (CID 71049765) is (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one is C[C@@H]1C[C@H](CC2=CCC(F)C=C2)NC1=O.
What is the InChIKey of (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is JKOXJUFCVRUZNN-OZVHHXTHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-11(14-12(8)15)7-9-2-4-10(13)5-3-9/h2-4,8,10-11H,5-7H2,1H3,(H,14,15)/t8-,10?,11-/m1/s1.
What are the key properties of (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one?
(3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 71049765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).