(Z)-2-(prop-2-enylideneamino)but-2-enimidamide

C7H11N3 — CID 142880540

IUPAC(Z)-2-(prop-2-enylideneamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(=C/C)/N=C/C=C
InChIInChI=1S/C7H11N3/c1-3-5-10-6(4-2)7(8)9/h3-5H,1H2,2H3,(H3,8,9)/b6-4-,10-5+
InChIKeyBFSZUSLPJJZULC-KNVSICBPSA-N
MW137.19 g/mol
LogP1.08
Rot. Bonds3

About (Z)-2-(prop-2-enylideneamino)but-2-enimidamide

(Z)-2-(prop-2-enylideneamino)but-2-enimidamide (PubChem CID 142880540) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (Z)-2-(prop-2-enylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-(prop-2-enylideneamino)but-2-enimidamide
PubChem CID142880540
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(Z)-2-(prop-2-enylideneamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(=C/C)/N=C/C=C
InChIInChI=1S/C7H11N3/c1-3-5-10-6(4-2)7(8)9/h3-5H,1H2,2H3,(H3,8,9)/b6-4-,10-5+
InChIKeyBFSZUSLPJJZULC-KNVSICBPSA-N
XLogP1.08
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.08
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 (Z)-2-(prop-2-enylideneamino)but-2-enimidamide?
The IUPAC name of (Z)-2-(prop-2-enylideneamino)but-2-enimidamide (CID 142880540) is (Z)-2-(prop-2-enylideneamino)but-2-enimidamide.
What is the SMILES notation for (Z)-2-(prop-2-enylideneamino)but-2-enimidamide?
The canonical SMILES for (Z)-2-(prop-2-enylideneamino)but-2-enimidamide is [H]/N=C(N)/C(=C/C)/N=C/C=C.
What is the InChIKey of (Z)-2-(prop-2-enylideneamino)but-2-enimidamide?
The InChIKey is BFSZUSLPJJZULC-KNVSICBPSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-5-10-6(4-2)7(8)9/h3-5H,1H2,2H3,(H3,8,9)/b6-4-,10-5+.
What are the key properties of (Z)-2-(prop-2-enylideneamino)but-2-enimidamide?
(Z)-2-(prop-2-enylideneamino)but-2-enimidamide has a molecular weight of 137.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(prop-2-enylideneamino)but-2-enimidamide is sourced from PubChem (CID 142880540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).