(Z)-4-imino-4-phenylbut-2-enimidamide

C10H11N3 — CID 143937504

IUPAC(Z)-4-imino-4-phenylbut-2-enimidamide
SMILES[H]/N=C(N)/C=C\C(=N\[H])c1ccccc1
InChIInChI=1S/C10H11N3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,11H,(H3,12,13)/b7-6-,11-9-
InChIKeyBMBQOFDQVDJVOW-XEZITKEBSA-N
MW173.22 g/mol
LogP1.55
Rot. Bonds3

About (Z)-4-imino-4-phenylbut-2-enimidamide

(Z)-4-imino-4-phenylbut-2-enimidamide (PubChem CID 143937504) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (Z)-4-imino-4-phenylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-imino-4-phenylbut-2-enimidamide
PubChem CID143937504
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(Z)-4-imino-4-phenylbut-2-enimidamide
SMILES[H]/N=C(N)/C=C\C(=N\[H])c1ccccc1
InChIInChI=1S/C10H11N3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,11H,(H3,12,13)/b7-6-,11-9-
InChIKeyBMBQOFDQVDJVOW-XEZITKEBSA-N
XLogP1.55
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.55
H-Bond Donors ≤ 53
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 (Z)-4-imino-4-phenylbut-2-enimidamide?
The IUPAC name of (Z)-4-imino-4-phenylbut-2-enimidamide (CID 143937504) is (Z)-4-imino-4-phenylbut-2-enimidamide.
What is the SMILES notation for (Z)-4-imino-4-phenylbut-2-enimidamide?
The canonical SMILES for (Z)-4-imino-4-phenylbut-2-enimidamide is [H]/N=C(N)/C=C\C(=N\[H])c1ccccc1.
What is the InChIKey of (Z)-4-imino-4-phenylbut-2-enimidamide?
The InChIKey is BMBQOFDQVDJVOW-XEZITKEBSA-N. The full InChI is InChI=1S/C10H11N3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7,11H,(H3,12,13)/b7-6-,11-9-.
What are the key properties of (Z)-4-imino-4-phenylbut-2-enimidamide?
(Z)-4-imino-4-phenylbut-2-enimidamide has a molecular weight of 173.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-phenylbut-2-enimidamide is sourced from PubChem (CID 143937504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).