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

C9H12ClNO — CID 82655531

IUPAC1-(2-chlorofuran-3-yl)cyclopentan-1-amine
SMILESNC1(c2ccoc2Cl)CCCC1
InChIInChI=1S/C9H12ClNO/c10-8-7(3-6-12-8)9(11)4-1-2-5-9/h3,6H,1-2,4-5,11H2
InChIKeyMPCVXSPFTMOKJL-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.66
Rot. Bonds1

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

1-(2-chlorofuran-3-yl)cyclopentan-1-amine (PubChem CID 82655531) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)cyclopentan-1-amine
PubChem CID82655531
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(2-chlorofuran-3-yl)cyclopentan-1-amine
SMILESNC1(c2ccoc2Cl)CCCC1
InChIInChI=1S/C9H12ClNO/c10-8-7(3-6-12-8)9(11)4-1-2-5-9/h3,6H,1-2,4-5,11H2
InChIKeyMPCVXSPFTMOKJL-UHFFFAOYSA-N
XLogP2.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)cyclopentan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)cyclopentan-1-amine (CID 82655531) is 1-(2-chlorofuran-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)cyclopentan-1-amine is NC1(c2ccoc2Cl)CCCC1.
What is the InChIKey of 1-(2-chlorofuran-3-yl)cyclopentan-1-amine?
The InChIKey is MPCVXSPFTMOKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-7(3-6-12-8)9(11)4-1-2-5-9/h3,6H,1-2,4-5,11H2.
What are the key properties of 1-(2-chlorofuran-3-yl)cyclopentan-1-amine?
1-(2-chlorofuran-3-yl)cyclopentan-1-amine has a molecular weight of 185.65 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 82655531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).