5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one

C12H18N2O — CID 79355013

IUPAC5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC2CCCC2)cc1N
InChIInChI=1S/C12H18N2O/c1-9-6-12(15)14(8-11(9)13)7-10-4-2-3-5-10/h6,8,10H,2-5,7,13H2,1H3
InChIKeyWAGIYDZZJNMVJQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds2

About 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one

5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one (PubChem CID 79355013) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one
PubChem CID79355013
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC2CCCC2)cc1N
InChIInChI=1S/C12H18N2O/c1-9-6-12(15)14(8-11(9)13)7-10-4-2-3-5-10/h6,8,10H,2-5,7,13H2,1H3
InChIKeyWAGIYDZZJNMVJQ-UHFFFAOYSA-N
XLogP1.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one (CID 79355013) is 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CC2CCCC2)cc1N.
What is the InChIKey of 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one?
The InChIKey is WAGIYDZZJNMVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-12(15)14(8-11(9)13)7-10-4-2-3-5-10/h6,8,10H,2-5,7,13H2,1H3.
What are the key properties of 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one?
5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 79355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).