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

C7H12N2 — CID 143600490

IUPAC2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C7H12N2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3,(H2,8,9)/b5-4-
InChIKeyWEJNUKTWXUMFMC-PLNGDYQASA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

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

2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 143600490) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID143600490
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESC=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C7H12N2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3,(H2,8,9)/b5-4-
InChIKeyWEJNUKTWXUMFMC-PLNGDYQASA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 143600490) is 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is C=C(C)/C(N)=N/C=C\C.
What is the InChIKey of 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is WEJNUKTWXUMFMC-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3,(H2,8,9)/b5-4-.
What are the key properties of 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide?
2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 143600490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).