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

C23H23N3O4 — CID 42600363

IUPAC[2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C23H23N3O4/c1-24-22(27)29-13-17-18(14-30-23(28)25-2)21(15-8-4-3-5-9-15)26-19-11-7-6-10-16(19)12-20(17)26/h3-11H,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySNVABUQWFGBSKP-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.76
Rot. Bonds5

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

[2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (PubChem CID 42600363) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
PubChem CID42600363
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n2c1Cc1ccccc1-2
InChIInChI=1S/C23H23N3O4/c1-24-22(27)29-13-17-18(14-30-23(28)25-2)21(15-8-4-3-5-9-15)26-19-11-7-6-10-16(19)12-20(17)26/h3-11H,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySNVABUQWFGBSKP-UHFFFAOYSA-N
XLogP3.76
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (CID 42600363) is [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n2c1Cc1ccccc1-2.
What is the InChIKey of [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The InChIKey is SNVABUQWFGBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-24-22(27)29-13-17-18(14-30-23(28)25-2)21(15-8-4-3-5-9-15)26-19-11-7-6-10-16(19)12-20(17)26/h3-11H,12-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
[2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate has a molecular weight of 405.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyloxymethyl)-1-phenyl-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42600363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).