2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol

C14H15NO4 — CID 54339278

IUPAC2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol
SMILESCC1Oc2ccccc2-c2c1c(O)n(CCO)c2O
InChIInChI=1S/C14H15NO4/c1-8-11-12(9-4-2-3-5-10(9)19-8)14(18)15(6-7-16)13(11)17/h2-5,8,16-18H,6-7H2,1H3
InChIKeyTXTQQNVJFYIONY-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.01
Rot. Bonds2

About 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol

2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol (PubChem CID 54339278) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol
PubChem CID54339278
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol
SMILESCC1Oc2ccccc2-c2c1c(O)n(CCO)c2O
InChIInChI=1S/C14H15NO4/c1-8-11-12(9-4-2-3-5-10(9)19-8)14(18)15(6-7-16)13(11)17/h2-5,8,16-18H,6-7H2,1H3
InChIKeyTXTQQNVJFYIONY-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol?
The IUPAC name of 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol (CID 54339278) is 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol is CC1Oc2ccccc2-c2c1c(O)n(CCO)c2O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol?
The InChIKey is TXTQQNVJFYIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-11-12(9-4-2-3-5-10(9)19-8)14(18)15(6-7-16)13(11)17/h2-5,8,16-18H,6-7H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol?
2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol has a molecular weight of 261.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-methyl-4H-chromeno[3,4-c]pyrrole-1,3-diol is sourced from PubChem (CID 54339278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).