(Z)-1-(1-aminoethenoxy)prop-1-en-2-amine

C₅H₁₀N₂O — CID 130441321

About (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine

(Z)-1-(1-aminoethenoxy)prop-1-en-2-amine (PubChem CID 130441321) has the molecular formula C₅H₁₀N₂O and a molecular weight of 114.15 g/mol. Its IUPAC name is (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine.

Molecular Properties

• Compound Name: (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine
• PubChem CID: 130441321
• Molecular Formula: C₅H₁₀N₂O
• Molecular Weight: 114.15 g/mol
• Exact Mass: 114.08
• IUPAC Name: (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine
• SMILES: C=C(N)O/C=C(/C)N
• InChI: InChI=1S/C5H10N2O/c1-4(6)3-8-5(2)7/h3H,2,6-7H2,1H3/b4-3-
• InChIKey: LJDKNJDVSVWBFT-ARJAWSKDSA-N
• XLogP: 0.25
• TPSA: 61.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	114.15
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine?

The IUPAC name of (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine (CID 130441321) is (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine.

What is the SMILES notation for (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine?

The canonical SMILES for (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine is C=C(N)O/C=C(/C)N.

What is the InChIKey of (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine?

The InChIKey is LJDKNJDVSVWBFT-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)3-8-5(2)7/h3H,2,6-7H2,1H3/b4-3-.

What are the key properties of (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine?

(Z)-1-(1-aminoethenoxy)prop-1-en-2-amine has a molecular weight of 114.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-(1-aminoethenoxy)prop-1-en-2-amine is sourced from PubChem (CID 130441321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130441321 — identifiers, structure, computed properties (public domain)

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