ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one

C12H22N2O — CID 145261989

IUPACethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)CN(C)C1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-4-6-7(9-2)5-10(3)8(6)11;2*1-2/h4H,1-2,5H2,3H3;2*1-2H3
InChIKeyPOAUKIGVTHACBM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.65
Rot. Bonds2

About ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one (PubChem CID 145261989) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
PubChem CID145261989
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)CN(C)C1=O.CC.CC
InChIInChI=1S/C8H10N2O.2C2H6/c1-4-6-7(9-2)5-10(3)8(6)11;2*1-2/h4H,1-2,5H2,3H3;2*1-2H3
InChIKeyPOAUKIGVTHACBM-UHFFFAOYSA-N
XLogP2.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
Ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 142389284
1-[3-Ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
CID 143088905
Ethane;4-ethenyl-3-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 143711201
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
CID 143848949
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
Ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 145394076
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one (CID 145261989) is ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one is C=CC1=C(N=C)CN(C)C1=O.CC.CC.
What is the InChIKey of ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one?
The InChIKey is POAUKIGVTHACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-4-6-7(9-2)5-10(3)8(6)11;2*1-2/h4H,1-2,5H2,3H3;2*1-2H3.
What are the key properties of ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one?
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one has a molecular weight of 210.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one is sourced from PubChem (CID 145261989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).