(1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine

C8H11NO2 — CID 130691670

IUPAC(1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(OC)o1
InChIInChI=1S/C8H11NO2/c1-3-6(9)7-4-5-8(10-2)11-7/h3-6H,1,9H2,2H3/t6-/m1/s1
InChIKeyXPGOHLCDQAMVTM-ZCFIWIBFSA-N
MW153.18 g/mol
LogP1.47
Rot. Bonds3

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

(1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine (PubChem CID 130691670) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine
PubChem CID130691670
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(OC)o1
InChIInChI=1S/C8H11NO2/c1-3-6(9)7-4-5-8(10-2)11-7/h3-6H,1,9H2,2H3/t6-/m1/s1
InChIKeyXPGOHLCDQAMVTM-ZCFIWIBFSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine (CID 130691670) is (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(OC)o1.
What is the InChIKey of (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine?
The InChIKey is XPGOHLCDQAMVTM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6(9)7-4-5-8(10-2)11-7/h3-6H,1,9H2,2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine?
(1R)-1-(5-methoxyfuran-2-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 (1R)-1-(5-methoxyfuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 130691670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).