spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol

C12H15NO3 — CID 82045927

IUPACspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
SMILESOc1cccc2c1C(O)CC1(CCNC1)O2
InChIInChI=1S/C12H15NO3/c14-8-2-1-3-10-11(8)9(15)6-12(16-10)4-5-13-7-12/h1-3,9,13-15H,4-7H2
InChIKeyBWEODOFCUMFELX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds

About spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol

spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol (PubChem CID 82045927) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol.

Molecular Properties

Compound Namespiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
PubChem CID82045927
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namespiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
SMILESOc1cccc2c1C(O)CC1(CCNC1)O2
InChIInChI=1S/C12H15NO3/c14-8-2-1-3-10-11(8)9(15)6-12(16-10)4-5-13-7-12/h1-3,9,13-15H,4-7H2
InChIKeyBWEODOFCUMFELX-UHFFFAOYSA-N
XLogP0.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol?
The IUPAC name of spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol (CID 82045927) is spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol.
What is the SMILES notation for spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol?
The canonical SMILES for spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol is Oc1cccc2c1C(O)CC1(CCNC1)O2.
What is the InChIKey of spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol?
The InChIKey is BWEODOFCUMFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-2-1-3-10-11(8)9(15)6-12(16-10)4-5-13-7-12/h1-3,9,13-15H,4-7H2.
What are the key properties of spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol?
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol has a molecular weight of 221.26 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol is sourced from PubChem (CID 82045927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).