(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine

C11H10BrNO — CID 130713073

IUPAC(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H10BrNO/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9H,1,13H2/t9-/m1/s1
InChIKeyAGOFZTHPZYMDQQ-SECBINFHSA-N
MW252.11 g/mol
LogP3.38
Rot. Bonds2

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

(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine (PubChem CID 130713073) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
PubChem CID130713073
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H10BrNO/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9H,1,13H2/t9-/m1/s1
InChIKeyAGOFZTHPZYMDQQ-SECBINFHSA-N
XLogP3.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.38
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-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine (CID 130713073) is (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine?
The InChIKey is AGOFZTHPZYMDQQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h2-6,9H,1,13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine?
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine has a molecular weight of 252.11 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 130713073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).