1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone

C11H14N2O — CID 145312114

IUPAC1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone
SMILESC=c1cc(C(C)=O)n(C)/c1=C/N=C/C
InChIInChI=1S/C11H14N2O/c1-5-12-7-11-8(2)6-10(9(3)14)13(11)4/h5-7H,2H2,1,3-4H3/b11-7+,12-5+
InChIKeyNMGRSWXFTOHXEP-OKLVCRICSA-N
MW190.25 g/mol
LogP0.47
Rot. Bonds2

About 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone

1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone (PubChem CID 145312114) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone
PubChem CID145312114
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone
SMILESC=c1cc(C(C)=O)n(C)/c1=C/N=C/C
InChIInChI=1S/C11H14N2O/c1-5-12-7-11-8(2)6-10(9(3)14)13(11)4/h5-7H,2H2,1,3-4H3/b11-7+,12-5+
InChIKeyNMGRSWXFTOHXEP-OKLVCRICSA-N
XLogP0.47
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone?
The IUPAC name of 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone (CID 145312114) is 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone?
The canonical SMILES for 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone is C=c1cc(C(C)=O)n(C)/c1=C/N=C/C.
What is the InChIKey of 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone?
The InChIKey is NMGRSWXFTOHXEP-OKLVCRICSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-12-7-11-8(2)6-10(9(3)14)13(11)4/h5-7H,2H2,1,3-4H3/b11-7+,12-5+.
What are the key properties of 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone?
1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone has a molecular weight of 190.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-5-[(ethylideneamino)methylidene]-1-methyl-4-methylidenepyrrol-2-yl]ethanone is sourced from PubChem (CID 145312114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).