N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide

C11H17N3 — CID 130180540

IUPACN'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide
SMILESC=C/N=C(C)/C(C)=N/C=N/C(C)=C/C
InChIInChI=1S/C11H17N3/c1-6-9(3)13-8-14-11(5)10(4)12-7-2/h6-8H,2H2,1,3-5H3/b9-6+,12-10+,13-8+,14-11+
InChIKeyHSUPZQZTFJLGDG-AQQYKAACSA-N
MW191.28 g/mol
LogP3.00
Rot. Bonds4

About N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide

N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide (PubChem CID 130180540) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide
PubChem CID130180540
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide
SMILESC=C/N=C(C)/C(C)=N/C=N/C(C)=C/C
InChIInChI=1S/C11H17N3/c1-6-9(3)13-8-14-11(5)10(4)12-7-2/h6-8H,2H2,1,3-5H3/b9-6+,12-10+,13-8+,14-11+
InChIKeyHSUPZQZTFJLGDG-AQQYKAACSA-N
XLogP3.00
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide (CID 130180540) is N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide is C=C/N=C(C)/C(C)=N/C=N/C(C)=C/C.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide?
The InChIKey is HSUPZQZTFJLGDG-AQQYKAACSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-9(3)13-8-14-11(5)10(4)12-7-2/h6-8H,2H2,1,3-5H3/b9-6+,12-10+,13-8+,14-11+.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide?
N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide has a molecular weight of 191.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-(3-ethenyliminobutan-2-ylidene)methanimidamide is sourced from PubChem (CID 130180540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).