(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine

C8H11NO — CID 130713927

IUPAC(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(C)co1
InChIInChI=1S/C8H11NO/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1
InChIKeyRULVYMLAOVGCQT-SSDOTTSWSA-N
MW137.18 g/mol
LogP1.77
Rot. Bonds2

About (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine

(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine (PubChem CID 130713927) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine
PubChem CID130713927
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(C)co1
InChIInChI=1S/C8H11NO/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1
InChIKeyRULVYMLAOVGCQT-SSDOTTSWSA-N
XLogP1.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.77
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 (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine (CID 130713927) is (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(C)co1.
What is the InChIKey of (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine?
The InChIKey is RULVYMLAOVGCQT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7(9)8-4-6(2)5-10-8/h3-5,7H,1,9H2,2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine?
(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine has a molecular weight of 137.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 130713927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).