(E)-1-methoxybut-2-en-2-amine

C5H11NO — CID 20717088

IUPAC(E)-1-methoxybut-2-en-2-amine
SMILESC/C=C(/N)COC
InChIInChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3H,4,6H2,1-2H3/b5-3+
InChIKeyDRGAWDVTVGBEMP-HWKANZROSA-N
MW101.15 g/mol
LogP0.50
Rot. Bonds2

About (E)-1-methoxybut-2-en-2-amine

(E)-1-methoxybut-2-en-2-amine (PubChem CID 20717088) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-1-methoxybut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-methoxybut-2-en-2-amine
PubChem CID20717088
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-1-methoxybut-2-en-2-amine
SMILESC/C=C(/N)COC
InChIInChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3H,4,6H2,1-2H3/b5-3+
InChIKeyDRGAWDVTVGBEMP-HWKANZROSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-methoxybut-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxybut-2-en-2-amine?
The IUPAC name of (E)-1-methoxybut-2-en-2-amine (CID 20717088) is (E)-1-methoxybut-2-en-2-amine.
What is the SMILES notation for (E)-1-methoxybut-2-en-2-amine?
The canonical SMILES for (E)-1-methoxybut-2-en-2-amine is C/C=C(/N)COC.
What is the InChIKey of (E)-1-methoxybut-2-en-2-amine?
The InChIKey is DRGAWDVTVGBEMP-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)4-7-2/h3H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-1-methoxybut-2-en-2-amine?
(E)-1-methoxybut-2-en-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxybut-2-en-2-amine is sourced from PubChem (CID 20717088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).