ethane;4-(methylaminomethyl)-1H-pyridin-2-one

C9H16N2O — CID 145154349

IUPACethane;4-(methylaminomethyl)-1H-pyridin-2-one
SMILESCC.CNCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H10N2O.C2H6/c1-8-5-6-2-3-9-7(10)4-6;1-2/h2-4,8H,5H2,1H3,(H,9,10);1-2H3
InChIKeyNYZXHSRDFGKWRZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.12
Rot. Bonds2

About ethane;4-(methylaminomethyl)-1H-pyridin-2-one

ethane;4-(methylaminomethyl)-1H-pyridin-2-one (PubChem CID 145154349) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;4-(methylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-(methylaminomethyl)-1H-pyridin-2-one
PubChem CID145154349
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;4-(methylaminomethyl)-1H-pyridin-2-one
SMILESCC.CNCc1cc[nH]c(=O)c1
InChIInChI=1S/C7H10N2O.C2H6/c1-8-5-6-2-3-9-7(10)4-6;1-2/h2-4,8H,5H2,1H3,(H,9,10);1-2H3
InChIKeyNYZXHSRDFGKWRZ-UHFFFAOYSA-N
XLogP1.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;4-(methylaminomethyl)-1H-pyridin-2-one (CID 145154349) is ethane;4-(methylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-(methylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;4-(methylaminomethyl)-1H-pyridin-2-one is CC.CNCc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;4-(methylaminomethyl)-1H-pyridin-2-one?
The InChIKey is NYZXHSRDFGKWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-8-5-6-2-3-9-7(10)4-6;1-2/h2-4,8H,5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-(methylaminomethyl)-1H-pyridin-2-one?
ethane;4-(methylaminomethyl)-1H-pyridin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 145154349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).