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

C18H21N3O4 — CID 42600358

IUPAC[1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccccc1C2
InChIInChI=1S/C18H21N3O4/c1-11-13(9-24-17(22)19-2)14(10-25-18(23)20-3)16-8-12-6-4-5-7-15(12)21(11)16/h4-7H,8-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGJGCVIBJNFIRFA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.40
Rot. Bonds4

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

[1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate (PubChem CID 42600358) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
PubChem CID42600358
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccccc1C2
InChIInChI=1S/C18H21N3O4/c1-11-13(9-24-17(22)19-2)14(10-25-18(23)20-3)16-8-12-6-4-5-7-15(12)21(11)16/h4-7H,8-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyGJGCVIBJNFIRFA-UHFFFAOYSA-N
XLogP2.40
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The IUPAC name of [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate (CID 42600358) is [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccccc1C2.
What is the InChIKey of [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The InChIKey is GJGCVIBJNFIRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-13(9-24-17(22)19-2)14(10-25-18(23)20-3)16-8-12-6-4-5-7-15(12)21(11)16/h4-7H,8-10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
[1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate has a molecular weight of 343.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42600358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).