[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

C19H23N3O4 — CID 42600359

IUPAC[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCCc1c(COC(=O)NC)c(COC(=O)NC)c2n1-c1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-4-15-13(10-25-18(23)20-2)14(11-26-19(24)21-3)17-9-12-7-5-6-8-16(12)22(15)17/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGLXLBHFZTAGCRI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.66
Rot. Bonds5

About [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (PubChem CID 42600359) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
PubChem CID42600359
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCCc1c(COC(=O)NC)c(COC(=O)NC)c2n1-c1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-4-15-13(10-25-18(23)20-2)14(11-26-19(24)21-3)17-9-12-7-5-6-8-16(12)22(15)17/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGLXLBHFZTAGCRI-UHFFFAOYSA-N
XLogP2.66
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (CID 42600359) is [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is CCc1c(COC(=O)NC)c(COC(=O)NC)c2n1-c1ccccc1C2.
What is the InChIKey of [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The InChIKey is GLXLBHFZTAGCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-15-13(10-25-18(23)20-2)14(11-26-19(24)21-3)17-9-12-7-5-6-8-16(12)22(15)17/h5-8H,4,9-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
[1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate has a molecular weight of 357.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42600359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).