N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide

C7H12N2 — CID 142313662

IUPACN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-5-6(2)9-7(3)8-4/h5H,4H2,1-3H3/b6-5-,9-7+
InChIKeyZVHDCSBTIDEXNL-BZWSEGBZSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide

N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide (PubChem CID 142313662) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide
PubChem CID142313662
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-5-6(2)9-7(3)8-4/h5H,4H2,1-3H3/b6-5-,9-7+
InChIKeyZVHDCSBTIDEXNL-BZWSEGBZSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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-2-en-2-yl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide (CID 142313662) is N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide is C=N/C(C)=N/C(C)=C\C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide?
The InChIKey is ZVHDCSBTIDEXNL-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(2)9-7(3)8-4/h5H,4H2,1-3H3/b6-5-,9-7+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide?
N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide is sourced from PubChem (CID 142313662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).