2-(but-3-en-2-ylideneamino)prop-2-enimidamide

C7H11N3 — CID 123864974

IUPAC2-(but-3-en-2-ylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)/N=C(\C)C=C
InChIInChI=1S/C7H11N3/c1-4-5(2)10-6(3)7(8)9/h4H,1,3H2,2H3,(H3,8,9)/b10-5+
InChIKeyYKYHJAGXKAZAEG-BJMVGYQFSA-N
MW137.19 g/mol
LogP1.08
Rot. Bonds3

About 2-(but-3-en-2-ylideneamino)prop-2-enimidamide

2-(but-3-en-2-ylideneamino)prop-2-enimidamide (PubChem CID 123864974) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-(but-3-en-2-ylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-(but-3-en-2-ylideneamino)prop-2-enimidamide
PubChem CID123864974
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-(but-3-en-2-ylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)/N=C(\C)C=C
InChIInChI=1S/C7H11N3/c1-4-5(2)10-6(3)7(8)9/h4H,1,3H2,2H3,(H3,8,9)/b10-5+
InChIKeyYKYHJAGXKAZAEG-BJMVGYQFSA-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 2-(but-3-en-2-ylideneamino)prop-2-enimidamide?
The IUPAC name of 2-(but-3-en-2-ylideneamino)prop-2-enimidamide (CID 123864974) is 2-(but-3-en-2-ylideneamino)prop-2-enimidamide.
What is the SMILES notation for 2-(but-3-en-2-ylideneamino)prop-2-enimidamide?
The canonical SMILES for 2-(but-3-en-2-ylideneamino)prop-2-enimidamide is [H]/N=C(\N)C(=C)/N=C(\C)C=C.
What is the InChIKey of 2-(but-3-en-2-ylideneamino)prop-2-enimidamide?
The InChIKey is YKYHJAGXKAZAEG-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-5(2)10-6(3)7(8)9/h4H,1,3H2,2H3,(H3,8,9)/b10-5+.
What are the key properties of 2-(but-3-en-2-ylideneamino)prop-2-enimidamide?
2-(but-3-en-2-ylideneamino)prop-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 2-(but-3-en-2-ylideneamino)prop-2-enimidamide is sourced from PubChem (CID 123864974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).