3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one

C10H13N3O — CID 83530805

IUPAC3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one
SMILESNCC1(c2cccnc2)CCNC1=O
InChIInChI=1S/C10H13N3O/c11-7-10(3-5-13-9(10)14)8-2-1-4-12-6-8/h1-2,4,6H,3,5,7,11H2,(H,13,14)
InChIKeyGOBAFOJSSGKZJT-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.20
Rot. Bonds2

About 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one

3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one (PubChem CID 83530805) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one
PubChem CID83530805
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one
SMILESNCC1(c2cccnc2)CCNC1=O
InChIInChI=1S/C10H13N3O/c11-7-10(3-5-13-9(10)14)8-2-1-4-12-6-8/h1-2,4,6H,3,5,7,11H2,(H,13,14)
InChIKeyGOBAFOJSSGKZJT-UHFFFAOYSA-N
XLogP-0.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one (CID 83530805) is 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one is NCC1(c2cccnc2)CCNC1=O.
What is the InChIKey of 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is GOBAFOJSSGKZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-7-10(3-5-13-9(10)14)8-2-1-4-12-6-8/h1-2,4,6H,3,5,7,11H2,(H,13,14).
What are the key properties of 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one?
3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 83530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).