2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide

C9H14N2O — CID 90725659

IUPAC2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide
SMILESC=C(/N=C/C)C(=CC)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-6H,3H2,1-2,4H3,(H,10,12)/b8-5?,11-6+
InChIKeyXUSMQLXRNHDOLE-YGEWACTLSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds3

About 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide

2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide (PubChem CID 90725659) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide
PubChem CID90725659
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide
SMILESC=C(/N=C/C)C(=CC)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-6H,3H2,1-2,4H3,(H,10,12)/b8-5?,11-6+
InChIKeyXUSMQLXRNHDOLE-YGEWACTLSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide?
The IUPAC name of 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide (CID 90725659) is 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide.
What is the SMILES notation for 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide?
The canonical SMILES for 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide is C=C(/N=C/C)C(=CC)C(=O)NC.
What is the InChIKey of 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide?
The InChIKey is XUSMQLXRNHDOLE-YGEWACTLSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-6H,3H2,1-2,4H3,(H,10,12)/b8-5?,11-6+.
What are the key properties of 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide?
2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylideneamino)ethenyl]-N-methylbut-2-enamide is sourced from PubChem (CID 90725659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).