(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol

C11H17NO3 — CID 93381179

IUPAC(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC[C@@H](O)COCc1ccco1
InChIInChI=1S/C11H17NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h2-4,6,10,12-13H,1,5,7-9H2/t10-/m1/s1
InChIKeyXZUCUMOTWUERQF-SNVBAGLBSA-N
MW211.26 g/mol
LogP0.93
Rot. Bonds8

About (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol

(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol (PubChem CID 93381179) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
PubChem CID93381179
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC[C@@H](O)COCc1ccco1
InChIInChI=1S/C11H17NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h2-4,6,10,12-13H,1,5,7-9H2/t10-/m1/s1
InChIKeyXZUCUMOTWUERQF-SNVBAGLBSA-N
XLogP0.93
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756661
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol (CID 93381179) is (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol is C=CCNC[C@@H](O)COCc1ccco1.
What is the InChIKey of (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is XZUCUMOTWUERQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-5-12-7-10(13)8-14-9-11-4-3-6-15-11/h2-4,6,10,12-13H,1,5,7-9H2/t10-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol?
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 93381179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).