(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine

C8H11NO2 — CID 130648649

IUPAC(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1coc(OC)c1
InChIInChI=1S/C8H11NO2/c1-3-7(9)6-4-8(10-2)11-5-6/h3-5,7H,1,9H2,2H3/t7-/m0/s1
InChIKeyJXGAPSRIVJQPFC-ZETCQYMHSA-N
MW153.18 g/mol
LogP1.47
Rot. Bonds3

About (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine

(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine (PubChem CID 130648649) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine
PubChem CID130648649
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1coc(OC)c1
InChIInChI=1S/C8H11NO2/c1-3-7(9)6-4-8(10-2)11-5-6/h3-5,7H,1,9H2,2H3/t7-/m0/s1
InChIKeyJXGAPSRIVJQPFC-ZETCQYMHSA-N
XLogP1.47
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-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 (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine (CID 130648649) is (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine is C=C[C@H](N)c1coc(OC)c1.
What is the InChIKey of (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine?
The InChIKey is JXGAPSRIVJQPFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7(9)6-4-8(10-2)11-5-6/h3-5,7H,1,9H2,2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine?
(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine has a molecular weight of 153.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 130648649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).