4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one

C12H14F2N2O — CID 168659727

IUPAC4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1c(F)cc(N2CC(CN)CC2=O)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-10(13)3-9(4-11(7)14)16-6-8(5-15)2-12(16)17/h3-4,8H,2,5-6,15H2,1H3
InChIKeyGPFYTOWQRLBAGG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.58
Rot. Bonds2

About 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one (PubChem CID 168659727) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
PubChem CID168659727
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1c(F)cc(N2CC(CN)CC2=O)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-10(13)3-9(4-11(7)14)16-6-8(5-15)2-12(16)17/h3-4,8H,2,5-6,15H2,1H3
InChIKeyGPFYTOWQRLBAGG-UHFFFAOYSA-N
XLogP1.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-difluoro-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673237
4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
CID 107579655
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzonitrile
CID 168660667
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
CID 168660507
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
methyl 1-(3,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693604
1-(2-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one (CID 168659727) is 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one is Cc1c(F)cc(N2CC(CN)CC2=O)cc1F.
What is the InChIKey of 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is GPFYTOWQRLBAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-10(13)3-9(4-11(7)14)16-6-8(5-15)2-12(16)17/h3-4,8H,2,5-6,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).