1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol

C12H19NO3 — CID 2771920

IUPAC1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COCc1ccco1)CN1CCCC1
InChIInChI=1S/C12H19NO3/c14-11(8-13-5-1-2-6-13)9-15-10-12-4-3-7-16-12/h3-4,7,11,14H,1-2,5-6,8-10H2
InChIKeyIAICTQOJDXPPLB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds6

About 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 2771920) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID2771920
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COCc1ccco1)CN1CCCC1
InChIInChI=1S/C12H19NO3/c14-11(8-13-5-1-2-6-13)9-15-10-12-4-3-7-16-12/h3-4,7,11,14H,1-2,5-6,8-10H2
InChIKeyIAICTQOJDXPPLB-UHFFFAOYSA-N
XLogP1.25
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882093
4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
CID 3754056
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858
N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 32603172
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 2771920) is 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol is OC(COCc1ccco1)CN1CCCC1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is IAICTQOJDXPPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(8-13-5-1-2-6-13)9-15-10-12-4-3-7-16-12/h3-4,7,11,14H,1-2,5-6,8-10H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 2771920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).