2-prop-2-enyliminoethylazanide

C5H8N2-2 — CID 140780373

IUPAC2-prop-2-enyliminoethylazanide
SMILES[H]/[C-]=C/C/N=C/C[NH-]
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-2,5-6H,3-4H2/q-2/b7-5+
InChIKeyMXVYSQZFEMFZQC-FNORWQNLSA-N
MW96.13 g/mol
LogP1.10
Rot. Bonds3

About 2-prop-2-enyliminoethylazanide

2-prop-2-enyliminoethylazanide (PubChem CID 140780373) has the molecular formula C5H8N2-2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-prop-2-enyliminoethylazanide.

Molecular Properties

Compound Name2-prop-2-enyliminoethylazanide
PubChem CID140780373
Molecular FormulaC5H8N2-2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-prop-2-enyliminoethylazanide
SMILES[H]/[C-]=C/C/N=C/C[NH-]
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-2,5-6H,3-4H2/q-2/b7-5+
InChIKeyMXVYSQZFEMFZQC-FNORWQNLSA-N
XLogP1.10
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyliminoethylazanide?
The IUPAC name of 2-prop-2-enyliminoethylazanide (CID 140780373) is 2-prop-2-enyliminoethylazanide.
What is the SMILES notation for 2-prop-2-enyliminoethylazanide?
The canonical SMILES for 2-prop-2-enyliminoethylazanide is [H]/[C-]=C/C/N=C/C[NH-].
What is the InChIKey of 2-prop-2-enyliminoethylazanide?
The InChIKey is MXVYSQZFEMFZQC-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-2,5-6H,3-4H2/q-2/b7-5+.
What are the key properties of 2-prop-2-enyliminoethylazanide?
2-prop-2-enyliminoethylazanide has a molecular weight of 96.13 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyliminoethylazanide is sourced from PubChem (CID 140780373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).