1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one

C13H20N2O — CID 62987133

IUPAC1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCNC(C)C2CC2)c(=O)c1
InChIInChI=1S/C13H20N2O/c1-10-5-7-15(13(16)9-10)8-6-14-11(2)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyNHCOGHGHMZGSKL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one

1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one (PubChem CID 62987133) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one
PubChem CID62987133
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCNC(C)C2CC2)c(=O)c1
InChIInChI=1S/C13H20N2O/c1-10-5-7-15(13(16)9-10)8-6-14-11(2)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3
InChIKeyNHCOGHGHMZGSKL-UHFFFAOYSA-N
XLogP1.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one (CID 62987133) is 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one is Cc1ccn(CCNC(C)C2CC2)c(=O)c1.
What is the InChIKey of 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one?
The InChIKey is NHCOGHGHMZGSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-7-15(13(16)9-10)8-6-14-11(2)12-3-4-12/h5,7,9,11-12,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one?
1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62987133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).