1-(2-bromofuran-3-yl)prop-2-en-1-amine

C7H8BrNO — CID 103846063

IUPAC1-(2-bromofuran-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccoc1Br
InChIInChI=1S/C7H8BrNO/c1-2-6(9)5-3-4-10-7(5)8/h2-4,6H,1,9H2
InChIKeyRVZXHOCRPGTGQD-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-bromofuran-3-yl)prop-2-en-1-amine

1-(2-bromofuran-3-yl)prop-2-en-1-amine (PubChem CID 103846063) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)prop-2-en-1-amine
PubChem CID103846063
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name1-(2-bromofuran-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccoc1Br
InChIInChI=1S/C7H8BrNO/c1-2-6(9)5-3-4-10-7(5)8/h2-4,6H,1,9H2
InChIKeyRVZXHOCRPGTGQD-UHFFFAOYSA-N
XLogP2.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.23
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

3-[(1R)-1-aminoprop-2-enyl]furan-2-carbonitrile
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3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
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1-(2-bromofuran-3-yl)pent-3-yn-1-amine
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(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
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2-[(1R)-1-aminoprop-2-enyl]phenol
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(1S)-1-(2-bromo-3-iodo-4-pyridinyl)prop-2-en-1-amine
CID 130786136
1-(2-bromofuran-3-yl)oct-7-en-1-ol
CID 107012254
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702
1-(2-bromofuran-3-yl)oct-7-enylhydrazine
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(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)prop-2-en-1-amine (CID 103846063) is 1-(2-bromofuran-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)prop-2-en-1-amine is C=CC(N)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)prop-2-en-1-amine?
The InChIKey is RVZXHOCRPGTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-2-6(9)5-3-4-10-7(5)8/h2-4,6H,1,9H2.
What are the key properties of 1-(2-bromofuran-3-yl)prop-2-en-1-amine?
1-(2-bromofuran-3-yl)prop-2-en-1-amine has a molecular weight of 202.05 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 103846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).