ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one

C10H14N2O — CID 143711173

IUPACethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Cc1c(N=C)cc[nH]c1=O.CC
InChIInChI=1S/C8H8N2O.C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;1-2/h3-5H,1-2H2,(H,10,11);1-2H3
InChIKeyYOBJYOSWDBZNBP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds2

About ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one

ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one (PubChem CID 143711173) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
PubChem CID143711173
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one
SMILESC=Cc1c(N=C)cc[nH]c1=O.CC
InChIInChI=1S/C8H8N2O.C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;1-2/h3-5H,1-2H2,(H,10,11);1-2H3
InChIKeyYOBJYOSWDBZNBP-UHFFFAOYSA-N
XLogP2.38
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
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-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The IUPAC name of ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one (CID 143711173) is ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The canonical SMILES for ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one is C=Cc1c(N=C)cc[nH]c1=O.CC.
What is the InChIKey of ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
The InChIKey is YOBJYOSWDBZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;1-2/h3-5H,1-2H2,(H,10,11);1-2H3.
What are the key properties of ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one?
ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4-(methylideneamino)-1H-pyridin-2-one is sourced from PubChem (CID 143711173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).