spiro[chromene-2,3'-pyrrolidine]-7,8-diol

C12H13NO3 — CID 82045994

IUPACspiro[chromene-2,3'-pyrrolidine]-7,8-diol
SMILESOc1ccc2c(c1O)OC1(C=C2)CCNC1
InChIInChI=1S/C12H13NO3/c14-9-2-1-8-3-4-12(5-6-13-7-12)16-11(8)10(9)15/h1-4,13-15H,5-7H2
InChIKeyWSJRVNLCKPVJPH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.24
Rot. Bonds

About spiro[chromene-2,3'-pyrrolidine]-7,8-diol

spiro[chromene-2,3'-pyrrolidine]-7,8-diol (PubChem CID 82045994) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is spiro[chromene-2,3'-pyrrolidine]-7,8-diol.

Molecular Properties

Compound Namespiro[chromene-2,3'-pyrrolidine]-7,8-diol
PubChem CID82045994
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namespiro[chromene-2,3'-pyrrolidine]-7,8-diol
SMILESOc1ccc2c(c1O)OC1(C=C2)CCNC1
InChIInChI=1S/C12H13NO3/c14-9-2-1-8-3-4-12(5-6-13-7-12)16-11(8)10(9)15/h1-4,13-15H,5-7H2
InChIKeyWSJRVNLCKPVJPH-UHFFFAOYSA-N
XLogP1.24
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

spiro[benzo[h]chromene-2,3'-pyrrolidine]
CID 82046003
7-bromospiro[chromene-2,3'-pyrrolidine]
CID 82045958
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
6-tert-butylspiro[chromene-2,4'-piperidine]
CID 150143821
6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
1-oxa-9-azaspiro[4.5]dec-3-ene
CID 54402162
3-(2-bromo-6-hydroxyphenyl)pyrrolidin-3-ol
CID 117103918
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567

Frequently Asked Questions

What is the IUPAC name of spiro[chromene-2,3'-pyrrolidine]-7,8-diol?
The IUPAC name of spiro[chromene-2,3'-pyrrolidine]-7,8-diol (CID 82045994) is spiro[chromene-2,3'-pyrrolidine]-7,8-diol.
What is the SMILES notation for spiro[chromene-2,3'-pyrrolidine]-7,8-diol?
The canonical SMILES for spiro[chromene-2,3'-pyrrolidine]-7,8-diol is Oc1ccc2c(c1O)OC1(C=C2)CCNC1.
What is the InChIKey of spiro[chromene-2,3'-pyrrolidine]-7,8-diol?
The InChIKey is WSJRVNLCKPVJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-9-2-1-8-3-4-12(5-6-13-7-12)16-11(8)10(9)15/h1-4,13-15H,5-7H2.
What are the key properties of spiro[chromene-2,3'-pyrrolidine]-7,8-diol?
spiro[chromene-2,3'-pyrrolidine]-7,8-diol has a molecular weight of 219.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[chromene-2,3'-pyrrolidine]-7,8-diol is sourced from PubChem (CID 82045994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).