1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine

C12H16ClNO — CID 84790607

IUPAC1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)c(C3CCCC3)o2)CC1
InChIInChI=1S/C12H16ClNO/c13-9-7-10(12(14)5-6-12)15-11(9)8-3-1-2-4-8/h7-8H,1-6,14H2
InChIKeyVCFOYQOUSKRJOS-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.54
Rot. Bonds2

About 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine

1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine (PubChem CID 84790607) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine
PubChem CID84790607
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)c(C3CCCC3)o2)CC1
InChIInChI=1S/C12H16ClNO/c13-9-7-10(12(14)5-6-12)15-11(9)8-3-1-2-4-8/h7-8H,1-6,14H2
InChIKeyVCFOYQOUSKRJOS-UHFFFAOYSA-N
XLogP3.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine (CID 84790607) is 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine is NC1(c2cc(Cl)c(C3CCCC3)o2)CC1.
What is the InChIKey of 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine?
The InChIKey is VCFOYQOUSKRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-9-7-10(12(14)5-6-12)15-11(9)8-3-1-2-4-8/h7-8H,1-6,14H2.
What are the key properties of 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine?
1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-cyclopentylfuran-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 84790607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).