(2R)-1-methoxybut-3-en-2-amine

C5H11NO — CID 90034668

IUPAC(2R)-1-methoxybut-3-en-2-amine
SMILESC=C[C@@H](N)COC
InChIInChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3,5H,1,4,6H2,2H3/t5-/m1/s1
InChIKeyMYBIZBWJJKFVQW-RXMQYKEDSA-N
MW101.15 g/mol
LogP0.15
Rot. Bonds3

About (2R)-1-methoxybut-3-en-2-amine

(2R)-1-methoxybut-3-en-2-amine (PubChem CID 90034668) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2R)-1-methoxybut-3-en-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxybut-3-en-2-amine
PubChem CID90034668
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2R)-1-methoxybut-3-en-2-amine
SMILESC=C[C@@H](N)COC
InChIInChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3,5H,1,4,6H2,2H3/t5-/m1/s1
InChIKeyMYBIZBWJJKFVQW-RXMQYKEDSA-N
XLogP0.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxybut-3-en-2-amine?
The IUPAC name of (2R)-1-methoxybut-3-en-2-amine (CID 90034668) is (2R)-1-methoxybut-3-en-2-amine.
What is the SMILES notation for (2R)-1-methoxybut-3-en-2-amine?
The canonical SMILES for (2R)-1-methoxybut-3-en-2-amine is C=C[C@@H](N)COC.
What is the InChIKey of (2R)-1-methoxybut-3-en-2-amine?
The InChIKey is MYBIZBWJJKFVQW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3,5H,1,4,6H2,2H3/t5-/m1/s1.
What are the key properties of (2R)-1-methoxybut-3-en-2-amine?
(2R)-1-methoxybut-3-en-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxybut-3-en-2-amine is sourced from PubChem (CID 90034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).