(E)-4-methoxybut-3-en-2-amine

C5H11NO — CID 102462739

IUPAC(E)-4-methoxybut-3-en-2-amine
SMILESCO/C=C/C(C)N
InChIInChI=1S/C5H11NO/c1-5(6)3-4-7-2/h3-5H,6H2,1-2H3/b4-3+
InChIKeyMEPOQJSRPSRNRN-ONEGZZNKSA-N
MW101.15 g/mol
LogP0.49
Rot. Bonds2

About (E)-4-methoxybut-3-en-2-amine

(E)-4-methoxybut-3-en-2-amine (PubChem CID 102462739) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-4-methoxybut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-methoxybut-3-en-2-amine
PubChem CID102462739
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-4-methoxybut-3-en-2-amine
SMILESCO/C=C/C(C)N
InChIInChI=1S/C5H11NO/c1-5(6)3-4-7-2/h3-5H,6H2,1-2H3/b4-3+
InChIKeyMEPOQJSRPSRNRN-ONEGZZNKSA-N
XLogP0.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxybut-3-en-2-amine?
The IUPAC name of (E)-4-methoxybut-3-en-2-amine (CID 102462739) is (E)-4-methoxybut-3-en-2-amine.
What is the SMILES notation for (E)-4-methoxybut-3-en-2-amine?
The canonical SMILES for (E)-4-methoxybut-3-en-2-amine is CO/C=C/C(C)N.
What is the InChIKey of (E)-4-methoxybut-3-en-2-amine?
The InChIKey is MEPOQJSRPSRNRN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(6)3-4-7-2/h3-5H,6H2,1-2H3/b4-3+.
What are the key properties of (E)-4-methoxybut-3-en-2-amine?
(E)-4-methoxybut-3-en-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxybut-3-en-2-amine is sourced from PubChem (CID 102462739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).