(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine

C8H10BrNO — CID 130713681

IUPAC(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cc(Br)co1
InChIInChI=1S/C8H10BrNO/c1-2-3-7(10)8-4-6(9)5-11-8/h2,4-5,7H,1,3,10H2/t7-/m0/s1
InChIKeyLQQYWSRQEMMDII-ZETCQYMHSA-N
MW216.08 g/mol
LogP2.62
Rot. Bonds3

About (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine

(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine (PubChem CID 130713681) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine
PubChem CID130713681
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cc(Br)co1
InChIInChI=1S/C8H10BrNO/c1-2-3-7(10)8-4-6(9)5-11-8/h2,4-5,7H,1,3,10H2/t7-/m0/s1
InChIKeyLQQYWSRQEMMDII-ZETCQYMHSA-N
XLogP2.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
(1S)-1-(4-bromofuran-2-yl)-2-methoxyethanamine
CID 130699456
(1S)-1-(3-bromophenyl)but-3-en-1-amine
CID 50999165
2-[(1R)-1-aminobut-3-enyl]-4-bromoaniline
CID 130740052
(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
(1S)-1-(3,4-dibromophenyl)but-3-en-1-amine
CID 130682495
(1S)-1-(4-bromo-3-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171221316
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)but-3-en-1-amine
CID 131344781
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
(1S)-1-(5-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171222795
(1R)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 131092271

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine (CID 130713681) is (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine is C=CC[C@H](N)c1cc(Br)co1.
What is the InChIKey of (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine?
The InChIKey is LQQYWSRQEMMDII-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-2-3-7(10)8-4-6(9)5-11-8/h2,4-5,7H,1,3,10H2/t7-/m0/s1.
What are the key properties of (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine?
(1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine has a molecular weight of 216.08 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromofuran-2-yl)but-3-en-1-amine is sourced from PubChem (CID 130713681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).