5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one

C11H17N3O — CID 105460854

IUPAC5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one
SMILESNCc1cc(N)cn(C2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c12-6-8-5-9(13)7-14(11(8)15)10-3-1-2-4-10/h5,7,10H,1-4,6,12-13H2
InChIKeyYCFJDVMRRKGOIG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds2

About 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one

5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one (PubChem CID 105460854) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one
PubChem CID105460854
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one
SMILESNCc1cc(N)cn(C2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c12-6-8-5-9(13)7-14(11(8)15)10-3-1-2-4-10/h5,7,10H,1-4,6,12-13H2
InChIKeyYCFJDVMRRKGOIG-UHFFFAOYSA-N
XLogP1.00
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one?
The IUPAC name of 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one (CID 105460854) is 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one?
The canonical SMILES for 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one is NCc1cc(N)cn(C2CCCC2)c1=O.
What is the InChIKey of 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one?
The InChIKey is YCFJDVMRRKGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-8-5-9(13)7-14(11(8)15)10-3-1-2-4-10/h5,7,10H,1-4,6,12-13H2.
What are the key properties of 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one?
5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 105460854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).