trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol

C14H20BrNO3 — CID 129483962

IUPACtrans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c15-14-5-4-10(19-14)8-16-6-7-18-9-12(16)11-2-1-3-13(11)17/h4-5,11-13,17H,1-3,6-9H2/t11-,12+,13+/m0/s1
InChIKeyXNEHMYZIKLOJDH-YNEHKIRRSA-N
MW330.22 g/mol
LogP2.40
Rot. Bonds3

About trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol

trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol (PubChem CID 129483962) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
PubChem CID129483962
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nametrans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c15-14-5-4-10(19-14)8-16-6-7-18-9-12(16)11-2-1-3-13(11)17/h4-5,11-13,17H,1-3,6-9H2/t11-,12+,13+/m0/s1
InChIKeyXNEHMYZIKLOJDH-YNEHKIRRSA-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

Analyze trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167884918
trans-(1S,2R)-2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484142
2-[4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985801
cis-(1R,2R)-2-[(3S)-4-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 129491643
2-[4-[(5-fluoro-2-pyridinyl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128971032
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167967294
2-[4-[(1-phenylpyrazol-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982395
2-[4-[(4-methylquinazolin-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985818
2-[4-[(2-methylquinolin-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167833631
2-fluoro-4-[[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129346639

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol (CID 129483962) is trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Br)o1.
What is the InChIKey of trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is XNEHMYZIKLOJDH-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-14-5-4-10(19-14)8-16-6-7-18-9-12(16)11-2-1-3-13(11)17/h4-5,11-13,17H,1-3,6-9H2/t11-,12+,13+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol?
trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-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 trans-(1R,2S)-2-[(3S)-4-[(5-bromofuran-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 129483962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).