(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one

C7H13FN2O — CID 163821154

IUPAC(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESC[C@H](N)N1C[C@H](CF)CC1=O
InChIInChI=1S/C7H13FN2O/c1-5(9)10-4-6(3-8)2-7(10)11/h5-6H,2-4,9H2,1H3/t5-,6+/m1/s1
InChIKeyNVMZEBBABUPYTK-RITPCOANSA-N
MW160.19 g/mol
LogP0.11
Rot. Bonds2

About (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one

(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 163821154) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID163821154
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESC[C@H](N)N1C[C@H](CF)CC1=O
InChIInChI=1S/C7H13FN2O/c1-5(9)10-4-6(3-8)2-7(10)11/h5-6H,2-4,9H2,1H3/t5-,6+/m1/s1
InChIKeyNVMZEBBABUPYTK-RITPCOANSA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one (CID 163821154) is (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one is C[C@H](N)N1C[C@H](CF)CC1=O.
What is the InChIKey of (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is NVMZEBBABUPYTK-RITPCOANSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(9)10-4-6(3-8)2-7(10)11/h5-6H,2-4,9H2,1H3/t5-,6+/m1/s1.
What are the key properties of (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one?
(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 160.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 163821154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).