N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide

C10H16N2 — CID 134578231

IUPACN-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)N(C=C)/C=C\CC
InChIInChI=1S/C10H16N2/c1-5-8-9-12(7-3)10(6-2)11-4/h6-9H,2-3,5H2,1,4H3/b9-8-,11-10+
InChIKeyZBTJROUDSJHAOF-QNRZBPGKSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds4

About N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide

N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide (PubChem CID 134578231) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
PubChem CID134578231
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)N(C=C)/C=C\CC
InChIInChI=1S/C10H16N2/c1-5-8-9-12(7-3)10(6-2)11-4/h6-9H,2-3,5H2,1,4H3/b9-8-,11-10+
InChIKeyZBTJROUDSJHAOF-QNRZBPGKSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide?
The IUPAC name of N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide (CID 134578231) is N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide is C=C/C(=N\C)N(C=C)/C=C\CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide?
The InChIKey is ZBTJROUDSJHAOF-QNRZBPGKSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-8-9-12(7-3)10(6-2)11-4/h6-9H,2-3,5H2,1,4H3/b9-8-,11-10+.
What are the key properties of N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide?
N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide is sourced from PubChem (CID 134578231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).