ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one

C10H16N2O — CID 142610507

IUPACethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one
SMILESC/C=N/c1c(C)cc[nH]c1=O.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-3-9-7-6(2)4-5-10-8(7)11;1-2/h3-5H,1-2H3,(H,10,11);1-2H3/b9-3+;
InChIKeyBAJADYBOJFGTIE-JSGFVSQVSA-N
MW180.25 g/mol
LogP2.43
Rot. Bonds1

About ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one

ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one (PubChem CID 142610507) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one
PubChem CID142610507
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one
SMILESC/C=N/c1c(C)cc[nH]c1=O.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-3-9-7-6(2)4-5-10-8(7)11;1-2/h3-5H,1-2H3,(H,10,11);1-2H3/b9-3+;
InChIKeyBAJADYBOJFGTIE-JSGFVSQVSA-N
XLogP2.43
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one?
The IUPAC name of ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one (CID 142610507) is ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one is C/C=N/c1c(C)cc[nH]c1=O.CC.
What is the InChIKey of ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one?
The InChIKey is BAJADYBOJFGTIE-JSGFVSQVSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-3-9-7-6(2)4-5-10-8(7)11;1-2/h3-5H,1-2H3,(H,10,11);1-2H3/b9-3+;.
What are the key properties of ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one?
ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethylideneamino)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 142610507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).