1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one

C15H18F2N2O — CID 154746765

IUPAC1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNCc2ccc(F)c(F)c2)CN1C1CC1
InChIInChI=1S/C15H18F2N2O/c16-13-4-1-10(5-14(13)17)7-18-8-11-6-15(20)19(9-11)12-2-3-12/h1,4-5,11-12,18H,2-3,6-9H2
InChIKeyNDDUCSMEAKBZEU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.07
Rot. Bonds5

About 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one

1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 154746765) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID154746765
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNCc2ccc(F)c(F)c2)CN1C1CC1
InChIInChI=1S/C15H18F2N2O/c16-13-4-1-10(5-14(13)17)7-18-8-11-6-15(20)19(9-11)12-2-3-12/h1,4-5,11-12,18H,2-3,6-9H2
InChIKeyNDDUCSMEAKBZEU-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one (CID 154746765) is 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one is O=C1CC(CNCc2ccc(F)c(F)c2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is NDDUCSMEAKBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-13-4-1-10(5-14(13)17)7-18-8-11-6-15(20)19(9-11)12-2-3-12/h1,4-5,11-12,18H,2-3,6-9H2.
What are the key properties of 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one?
1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 280.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 154746765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).