[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine

C9H12ClNO — CID 82655529

IUPAC[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2coc(Cl)c2)CCC1
InChIInChI=1S/C9H12ClNO/c10-8-4-7(5-12-8)9(6-11)2-1-3-9/h4-5H,1-3,6,11H2
InChIKeyWVPPXCUGLZNNHW-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.31
Rot. Bonds2

About [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine

[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine (PubChem CID 82655529) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine
PubChem CID82655529
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine
SMILESNCC1(c2coc(Cl)c2)CCC1
InChIInChI=1S/C9H12ClNO/c10-8-4-7(5-12-8)9(6-11)2-1-3-9/h4-5H,1-3,6,11H2
InChIKeyWVPPXCUGLZNNHW-UHFFFAOYSA-N
XLogP2.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine (CID 82655529) is [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine is NCC1(c2coc(Cl)c2)CCC1.
What is the InChIKey of [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine?
The InChIKey is WVPPXCUGLZNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-4-7(5-12-8)9(6-11)2-1-3-9/h4-5H,1-3,6,11H2.
What are the key properties of [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine?
[1-(5-chlorofuran-3-yl)cyclobutyl]methanamine has a molecular weight of 185.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorofuran-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82655529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).