(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide

C8H14N2 — CID 155070878

IUPAC(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide
SMILESC/C=C\NC(/C=C\C)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h4-7H,1-3H3,(H,9,10)/b6-4-,7-5-
InChIKeyMXPLYWVMTRREST-PEPZGXQESA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds2

About (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide

(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide (PubChem CID 155070878) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide
PubChem CID155070878
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide
SMILESC/C=C\NC(/C=C\C)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h4-7H,1-3H3,(H,9,10)/b6-4-,7-5-
InChIKeyMXPLYWVMTRREST-PEPZGXQESA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide (CID 155070878) is (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide is C/C=C\NC(/C=C\C)=N/C.
What is the InChIKey of (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide?
The InChIKey is MXPLYWVMTRREST-PEPZGXQESA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h4-7H,1-3H3,(H,9,10)/b6-4-,7-5-.
What are the key properties of (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide?
(Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N-[(Z)-prop-1-enyl]but-2-enimidamide is sourced from PubChem (CID 155070878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).