ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one

C12H22N2O — CID 167479305

IUPACethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/N=C/C)CNC1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-6-7(9-4-2)5-10-8(6)11;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;
InChIKeyUYVNYXCBUXYANL-HPJBNNNXSA-N
MW210.32 g/mol
LogP2.70
Rot. Bonds2

About ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one

ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one (PubChem CID 167479305) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
PubChem CID167479305
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/N=C/C)CNC1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-6-7(9-4-2)5-10-8(6)11;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;
InChIKeyUYVNYXCBUXYANL-HPJBNNNXSA-N
XLogP2.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.70
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;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one (CID 167479305) is ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one is C=CC1=C(/N=C/C)CNC1=O.CC.CC.
What is the InChIKey of ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
The InChIKey is UYVNYXCBUXYANL-HPJBNNNXSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-3-6-7(9-4-2)5-10-8(6)11;2*1-2/h3-4H,1,5H2,2H3,(H,10,11);2*1-2H3/b9-4+;;.
What are the key properties of ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one?
ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one has a molecular weight of 210.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-(ethylideneamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 167479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).