2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one

C10H16N2O — CID 171531807

IUPAC2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H](C)N(C)C)[nH]1
InChIInChI=1S/C10H16N2O/c1-7-5-9(13)6-10(11-7)8(2)12(3)4/h5-6,8H,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyLJWMXPTXKGTNFU-QMMMGPOBSA-N
MW180.25 g/mol
LogP1.31
Rot. Bonds2

About 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one

2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one (PubChem CID 171531807) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one
PubChem CID171531807
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H](C)N(C)C)[nH]1
InChIInChI=1S/C10H16N2O/c1-7-5-9(13)6-10(11-7)8(2)12(3)4/h5-6,8H,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyLJWMXPTXKGTNFU-QMMMGPOBSA-N
XLogP1.31
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one (CID 171531807) is 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc([C@H](C)N(C)C)[nH]1.
What is the InChIKey of 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one?
The InChIKey is LJWMXPTXKGTNFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-5-9(13)6-10(11-7)8(2)12(3)4/h5-6,8H,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one?
2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(dimethylamino)ethyl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 171531807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).