1-(aminomethyl)-5-phenylpyrrolidin-2-one

C11H14N2O — CID 23348574

IUPAC1-(aminomethyl)-5-phenylpyrrolidin-2-one
SMILESNCN1C(=O)CCC1c1ccccc1
InChIInChI=1S/C11H14N2O/c12-8-13-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyXPKLUGCOPFSHFT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds2

About 1-(aminomethyl)-5-phenylpyrrolidin-2-one

1-(aminomethyl)-5-phenylpyrrolidin-2-one (PubChem CID 23348574) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(aminomethyl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(aminomethyl)-5-phenylpyrrolidin-2-one
PubChem CID23348574
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(aminomethyl)-5-phenylpyrrolidin-2-one
SMILESNCN1C(=O)CCC1c1ccccc1
InChIInChI=1S/C11H14N2O/c12-8-13-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyXPKLUGCOPFSHFT-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 1-(aminomethyl)-5-phenylpyrrolidin-2-one (CID 23348574) is 1-(aminomethyl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(aminomethyl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(aminomethyl)-5-phenylpyrrolidin-2-one is NCN1C(=O)CCC1c1ccccc1.
What is the InChIKey of 1-(aminomethyl)-5-phenylpyrrolidin-2-one?
The InChIKey is XPKLUGCOPFSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-8-13-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2.
What are the key properties of 1-(aminomethyl)-5-phenylpyrrolidin-2-one?
1-(aminomethyl)-5-phenylpyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 23348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).