N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide

C10H15N3O — CID 146644144

IUPACN-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide
SMILESC=C/N=C(/NC(=O)C1CC1)C(=C)NC
InChIInChI=1S/C10H15N3O/c1-4-12-9(7(2)11-3)13-10(14)8-5-6-8/h4,8,11H,1-2,5-6H2,3H3,(H,12,13,14)
InChIKeySTGGBZRNIWRXHQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.79
Rot. Bonds4

About N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide

N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide (PubChem CID 146644144) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide
PubChem CID146644144
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide
SMILESC=C/N=C(/NC(=O)C1CC1)C(=C)NC
InChIInChI=1S/C10H15N3O/c1-4-12-9(7(2)11-3)13-10(14)8-5-6-8/h4,8,11H,1-2,5-6H2,3H3,(H,12,13,14)
InChIKeySTGGBZRNIWRXHQ-UHFFFAOYSA-N
XLogP0.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide?
The IUPAC name of N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide (CID 146644144) is N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide?
The canonical SMILES for N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide is C=C/N=C(/NC(=O)C1CC1)C(=C)NC.
What is the InChIKey of N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide?
The InChIKey is STGGBZRNIWRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-12-9(7(2)11-3)13-10(14)8-5-6-8/h4,8,11H,1-2,5-6H2,3H3,(H,12,13,14).
What are the key properties of N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide?
N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethenyl-C-[1-(methylamino)ethenyl]carbonimidoyl]cyclopropanecarboxamide is sourced from PubChem (CID 146644144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).