1-[3-(diethylamino)phenyl]pyrrole-2,5-diol

C14H18N2O2 — CID 54420618

IUPAC1-[3-(diethylamino)phenyl]pyrrole-2,5-diol
SMILESCCN(CC)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C14H18N2O2/c1-3-15(4-2)11-6-5-7-12(10-11)16-13(17)8-9-14(16)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyWANWVMOBLJHOSH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol

1-[3-(diethylamino)phenyl]pyrrole-2,5-diol (PubChem CID 54420618) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-(diethylamino)phenyl]pyrrole-2,5-diol
PubChem CID54420618
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(diethylamino)phenyl]pyrrole-2,5-diol
SMILESCCN(CC)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C14H18N2O2/c1-3-15(4-2)11-6-5-7-12(10-11)16-13(17)8-9-14(16)18/h5-10,17-18H,3-4H2,1-2H3
InChIKeyWANWVMOBLJHOSH-UHFFFAOYSA-N
XLogP2.73
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol (CID 54420618) is 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol is CCN(CC)c1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol?
The InChIKey is WANWVMOBLJHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15(4-2)11-6-5-7-12(10-11)16-13(17)8-9-14(16)18/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol?
1-[3-(diethylamino)phenyl]pyrrole-2,5-diol has a molecular weight of 246.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)phenyl]pyrrole-2,5-diol is sourced from PubChem (CID 54420618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).