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

C8H10N2O — CID 145416255

IUPAC3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)N(C)C1
InChIInChI=1S/C8H10N2O/c1-4-6-5-10(3)8(11)7(6)9-2/h4H,1-2,5H2,3H3
InChIKeyJNUGOJXLHHTWQK-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.60
Rot. Bonds2

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

3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one (PubChem CID 145416255) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
PubChem CID145416255
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
SMILESC=CC1=C(N=C)C(=O)N(C)C1
InChIInChI=1S/C8H10N2O/c1-4-6-5-10(3)8(11)7(6)9-2/h4H,1-2,5H2,3H3
InChIKeyJNUGOJXLHHTWQK-UHFFFAOYSA-N
XLogP0.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.60
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
N'-(1-acetyl-4-ethenyl-2,5-dihydropyrrol-3-yl)methanimidamide
CID 142586839
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
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
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
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
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one (CID 145416255) is 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one is C=CC1=C(N=C)C(=O)N(C)C1.
What is the InChIKey of 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
The InChIKey is JNUGOJXLHHTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-4-6-5-10(3)8(11)7(6)9-2/h4H,1-2,5H2,3H3.
What are the key properties of 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one?
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one has a molecular weight of 150.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one is sourced from PubChem (CID 145416255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).