3-(3-bromofuran-2-yl)cyclopentan-1-amine

C9H12BrNO — CID 64504340

IUPAC3-(3-bromofuran-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2occc2Br)C1
InChIInChI=1S/C9H12BrNO/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7H,1-2,5,11H2
InChIKeyAMUBLIGHXCZOBF-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.64
Rot. Bonds1

About 3-(3-bromofuran-2-yl)cyclopentan-1-amine

3-(3-bromofuran-2-yl)cyclopentan-1-amine (PubChem CID 64504340) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)cyclopentan-1-amine
PubChem CID64504340
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-(3-bromofuran-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2occc2Br)C1
InChIInChI=1S/C9H12BrNO/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7H,1-2,5,11H2
InChIKeyAMUBLIGHXCZOBF-UHFFFAOYSA-N
XLogP2.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(3-bromofuran-2-yl)cyclopentan-1-amine (CID 64504340) is 3-(3-bromofuran-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(3-bromofuran-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(3-bromofuran-2-yl)cyclopentan-1-amine is NC1CCC(c2occc2Br)C1.
What is the InChIKey of 3-(3-bromofuran-2-yl)cyclopentan-1-amine?
The InChIKey is AMUBLIGHXCZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7H,1-2,5,11H2.
What are the key properties of 3-(3-bromofuran-2-yl)cyclopentan-1-amine?
3-(3-bromofuran-2-yl)cyclopentan-1-amine has a molecular weight of 230.10 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 64504340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).