3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one

C8H14FNO — CID 45088612

IUPAC3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(F)C1=O
InChIInChI=1S/C8H14FNO/c1-6(2)5-10-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyOCKIIWDIXYLSEK-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds2

About 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one

3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 45088612) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID45088612
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(F)C1=O
InChIInChI=1S/C8H14FNO/c1-6(2)5-10-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyOCKIIWDIXYLSEK-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
2-Pyrrolidinone, 1-butyl-
CID 18984
1,3-Dimethylpyrrolidin-2-one
CID 209257
2-Pyrrolidinone, 1-(1-methylpropyl)-
CID 11989721
Pyrrolidine, 1-(1-oxobutyl)-
CID 303117
1-Propyl-pyrrolidin-2-one
CID 566544
1-(2,2-Dimethylpropanoyl)pyrrolidin-2-one
CID 11008332
N-tert-Butyl-2-pyrrolidone
CID 88653
1-Isobutylpyrrolidin-2-one
CID 3772287
2-Methylpropanoyl pyrrolidine
CID 5143352
1-(~2~H_3_)Methyl(~2~H_6_)pyrrolidin-2-one
CID 16217555

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one (CID 45088612) is 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CCC(F)C1=O.
What is the InChIKey of 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is OCKIIWDIXYLSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(2)5-10-4-3-7(9)8(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one?
3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 159.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45088612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).