(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone

C14H20BrNO2 — CID 79070400

IUPAC(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2occc2Br)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-3-16(4-2)14(8-5-6-9-14)13(17)12-11(15)7-10-18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyXKOQHNXACRGSRA-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.88
Rot. Bonds5

About (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone

(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone (PubChem CID 79070400) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
PubChem CID79070400
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
SMILESCCN(CC)C1(C(=O)c2occc2Br)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-3-16(4-2)14(8-5-6-9-14)13(17)12-11(15)7-10-18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyXKOQHNXACRGSRA-UHFFFAOYSA-N
XLogP3.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone (CID 79070400) is (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone is CCN(CC)C1(C(=O)c2occc2Br)CCCC1.
What is the InChIKey of (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone?
The InChIKey is XKOQHNXACRGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-16(4-2)14(8-5-6-9-14)13(17)12-11(15)7-10-18-12/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone?
(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone has a molecular weight of 314.22 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone is sourced from PubChem (CID 79070400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).