2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol

C11H9NO3 — CID 54274363

IUPAC2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol
SMILESOc1[nH]c(O)c2c1COc1ccccc1-2
InChIInChI=1S/C11H9NO3/c13-10-7-5-15-8-4-2-1-3-6(8)9(7)11(14)12-10/h1-4,12-14H,5H2
InChIKeyRMJKAFZVXAHEGV-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.99
Rot. Bonds

About 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol

2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol (PubChem CID 54274363) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol.

Molecular Properties

Compound Name2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol
PubChem CID54274363
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol
SMILESOc1[nH]c(O)c2c1COc1ccccc1-2
InChIInChI=1S/C11H9NO3/c13-10-7-5-15-8-4-2-1-3-6(8)9(7)11(14)12-10/h1-4,12-14H,5H2
InChIKeyRMJKAFZVXAHEGV-UHFFFAOYSA-N
XLogP1.99
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
CID 91024296
9-[3-(4-fluorophenyl)propoxy]-6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 56987660
6-methoxy-9-[3-(4-methylphenyl)propoxy]-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 53645308
2H-[1]benzoxepino[4,5-c]pyrrole-1,3-diol
CID 54061447
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol
CID 54339278
4-(2-hydroxyphenyl)-4,5-dihydro-2H-isoindole-1,3-diol
CID 54423769
6-methoxy-9-(3-phenylpropoxy)-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54492975
8-Oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-14-ol
CID 91057853

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol?
The IUPAC name of 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol (CID 54274363) is 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol.
What is the SMILES notation for 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol?
The canonical SMILES for 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol is Oc1[nH]c(O)c2c1COc1ccccc1-2.
What is the InChIKey of 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol?
The InChIKey is RMJKAFZVXAHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-7-5-15-8-4-2-1-3-6(8)9(7)11(14)12-10/h1-4,12-14H,5H2.
What are the key properties of 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol?
2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol has a molecular weight of 203.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrochromeno[3,4-c]pyrrole-1,3-diol is sourced from PubChem (CID 54274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).