ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate

C18H14N2O5 — CID 24813540

IUPACethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)N(CO)C2=O
InChIInChI=1S/C18H14N2O5/c1-2-25-18(24)11-7-10-14(17(23)20(8-21)16(10)22)13-9-5-3-4-6-12(9)19-15(11)13/h3-7,19,21H,2,8H2,1H3
InChIKeyWNGIYAAKRIWPKZ-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate

ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate (PubChem CID 24813540) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
PubChem CID24813540
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Nameethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)N(CO)C2=O
InChIInChI=1S/C18H14N2O5/c1-2-25-18(24)11-7-10-14(17(23)20(8-21)16(10)22)13-9-5-3-4-6-12(9)19-15(11)13/h3-7,19,21H,2,8H2,1H3
InChIKeyWNGIYAAKRIWPKZ-UHFFFAOYSA-N
XLogP2.04
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The IUPAC name of ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate (CID 24813540) is ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The canonical SMILES for ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate is CCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)N(CO)C2=O.
What is the InChIKey of ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
The InChIKey is WNGIYAAKRIWPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-2-25-18(24)11-7-10-14(17(23)20(8-21)16(10)22)13-9-5-3-4-6-12(9)19-15(11)13/h3-7,19,21H,2,8H2,1H3.
What are the key properties of ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate?
ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)-1,3-dioxo-6H-pyrrolo[3,4-c]carbazole-5-carboxylate is sourced from PubChem (CID 24813540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).