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

C17H20N2O2 — CID 123620252

IUPAC(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate
SMILESCCc1c(COC(=O)NC)c(C)c2n1-c1ccccc1C2
InChIInChI=1S/C17H20N2O2/c1-4-14-13(10-21-17(20)18-3)11(2)16-9-12-7-5-6-8-15(12)19(14)16/h5-8H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyIAEBHDQGOYLBAE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds3

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

(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate (PubChem CID 123620252) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate
PubChem CID123620252
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate
SMILESCCc1c(COC(=O)NC)c(C)c2n1-c1ccccc1C2
InChIInChI=1S/C17H20N2O2/c1-4-14-13(10-21-17(20)18-3)11(2)16-9-12-7-5-6-8-15(12)19(14)16/h5-8H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyIAEBHDQGOYLBAE-UHFFFAOYSA-N
XLogP3.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
CID 123526673
[1-carbamoyloxy-1-(1-ethyl-2-methyl-4H-pyrrolo[1,2-a]indol-3-yl)ethyl] N-methylcarbamate
CID 68916545
[1-(4-methoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-ethylcarbamate
CID 123203308
[1-(3,4-dimethoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
CID 42600611
(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate
CID 123623723
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
CID 142022851
hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
CID 664418
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate?
The IUPAC name of (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate (CID 123620252) is (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate.
What is the SMILES notation for (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate?
The canonical SMILES for (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate is CCc1c(COC(=O)NC)c(C)c2n1-c1ccccc1C2.
What is the InChIKey of (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate?
The InChIKey is IAEBHDQGOYLBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-14-13(10-21-17(20)18-3)11(2)16-9-12-7-5-6-8-15(12)19(14)16/h5-8H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate?
(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate has a molecular weight of 284.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate is sourced from PubChem (CID 123620252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).