spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol

C14H17NO4 — CID 82045930

IUPACspiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
SMILESOC1CC2(CCNC2)Oc2c1ccc1c2OCCO1
InChIInChI=1S/C14H17NO4/c16-10-7-14(3-4-15-8-14)19-12-9(10)1-2-11-13(12)18-6-5-17-11/h1-2,10,15-16H,3-8H2
InChIKeySZGXKQYRTBUVEX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.01
Rot. Bonds

About spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol

spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol (PubChem CID 82045930) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol.

Molecular Properties

Compound Namespiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
PubChem CID82045930
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namespiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
SMILESOC1CC2(CCNC2)Oc2c1ccc1c2OCCO1
InChIInChI=1S/C14H17NO4/c16-10-7-14(3-4-15-8-14)19-12-9(10)1-2-11-13(12)18-6-5-17-11/h1-2,10,15-16H,3-8H2
InChIKeySZGXKQYRTBUVEX-UHFFFAOYSA-N
XLogP1.01
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol with MolForge

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Related Compounds

spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,4'-piperidine]-6-ol
CID 82045766
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045909
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
CID 82019296
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
8-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047381
5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045896
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,1'-cyclopentane]-6-amine
CID 82462829
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047

Frequently Asked Questions

What is the IUPAC name of spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol?
The IUPAC name of spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol (CID 82045930) is spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol.
What is the SMILES notation for spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol?
The canonical SMILES for spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol is OC1CC2(CCNC2)Oc2c1ccc1c2OCCO1.
What is the InChIKey of spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol?
The InChIKey is SZGXKQYRTBUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-10-7-14(3-4-15-8-14)19-12-9(10)1-2-11-13(12)18-6-5-17-11/h1-2,10,15-16H,3-8H2.
What are the key properties of spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol?
spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol has a molecular weight of 263.29 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol is sourced from PubChem (CID 82045930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).