N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide

C6H11N3 — CID 166960425

IUPACN'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide
SMILES[H]/N=C/C=C(C)/N=C(\C)N
InChIInChI=1S/C6H11N3/c1-5(3-4-7)9-6(2)8/h3-4,7H,1-2H3,(H2,8,9)/b5-3+,7-4+
InChIKeyBWVIZHVRUJJUAQ-HJIKTHEYSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds2

About N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide

N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide (PubChem CID 166960425) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide
PubChem CID166960425
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide
SMILES[H]/N=C/C=C(C)/N=C(\C)N
InChIInChI=1S/C6H11N3/c1-5(3-4-7)9-6(2)8/h3-4,7H,1-2H3,(H2,8,9)/b5-3+,7-4+
InChIKeyBWVIZHVRUJJUAQ-HJIKTHEYSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide (CID 166960425) is N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide is [H]/N=C/C=C(C)/N=C(\C)N.
What is the InChIKey of N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide?
The InChIKey is BWVIZHVRUJJUAQ-HJIKTHEYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(3-4-7)9-6(2)8/h3-4,7H,1-2H3,(H2,8,9)/b5-3+,7-4+.
What are the key properties of N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide?
N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-iminobut-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 166960425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).