3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol

C14H20BrNO3 — CID 167884918

IUPAC3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1Cc1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c15-14-4-3-10(19-14)8-16-6-1-2-12(16)11-9-18-7-5-13(11)17/h3-4,11-13,17H,1-2,5-9H2
InChIKeyOOKMWBLJNSRJJP-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.40
Rot. Bonds3

About 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol

3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 167884918) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID167884918
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESOC1CCOCC1C1CCCN1Cc1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c15-14-4-3-10(19-14)8-16-6-1-2-12(16)11-9-18-7-5-13(11)17/h3-4,11-13,17H,1-2,5-9H2
InChIKeyOOKMWBLJNSRJJP-UHFFFAOYSA-N
XLogP2.40
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (CID 167884918) is 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is OC1CCOCC1C1CCCN1Cc1ccc(Br)o1.
What is the InChIKey of 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is OOKMWBLJNSRJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-14-4-3-10(19-14)8-16-6-1-2-12(16)11-9-18-7-5-13(11)17/h3-4,11-13,17H,1-2,5-9H2.
What are the key properties of 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 330.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 167884918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).