ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one

C10H16N2O — CID 153329866

IUPACethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
SMILESCC.[H]/N=C/C1=C(C=C)CN(C)C1=O
InChIInChI=1S/C8H10N2O.C2H6/c1-3-6-5-10(2)8(11)7(6)4-9;1-2/h3-4,9H,1,5H2,2H3;1-2H3/b9-4+;
InChIKeyHERGHUOVJQXOJD-JOKMOOFLSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds2

About ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one

ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one (PubChem CID 153329866) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
PubChem CID153329866
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
SMILESCC.[H]/N=C/C1=C(C=C)CN(C)C1=O
InChIInChI=1S/C8H10N2O.C2H6/c1-3-6-5-10(2)8(11)7(6)4-9;1-2/h3-4,9H,1,5H2,2H3;1-2H3/b9-4+;
InChIKeyHERGHUOVJQXOJD-JOKMOOFLSA-N
XLogP1.62
TPSA44.16 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 ≤ 51.62
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-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The IUPAC name of ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one (CID 153329866) is ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one is CC.[H]/N=C/C1=C(C=C)CN(C)C1=O.
What is the InChIKey of ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The InChIKey is HERGHUOVJQXOJD-JOKMOOFLSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-3-6-5-10(2)8(11)7(6)4-9;1-2/h3-4,9H,1,5H2,2H3;1-2H3/b9-4+;.
What are the key properties of ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one has a molecular weight of 180.25 g/mol, XLogP of 1.62, 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-methanimidoyl-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 153329866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).