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

C23H24N2O4 — CID 123526673

IUPAC[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(C)c2n(c1-c1ccc(OC)c(OC)c1)-c1ccccc1C2
InChIInChI=1S/C23H24N2O4/c1-14-17(13-29-23(26)24-2)22(16-9-10-20(27-3)21(12-16)28-4)25-18-8-6-5-7-15(18)11-19(14)25/h5-10,12H,11,13H2,1-4H3,(H,24,26)
InChIKeyJBLHMEOVKNOROO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.23
Rot. Bonds5

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

[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate (PubChem CID 123526673) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
PubChem CID123526673
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(C)c2n(c1-c1ccc(OC)c(OC)c1)-c1ccccc1C2
InChIInChI=1S/C23H24N2O4/c1-14-17(13-29-23(26)24-2)22(16-9-10-20(27-3)21(12-16)28-4)25-18-8-6-5-7-15(18)11-19(14)25/h5-10,12H,11,13H2,1-4H3,(H,24,26)
InChIKeyJBLHMEOVKNOROO-UHFFFAOYSA-N
XLogP4.23
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The IUPAC name of [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate (CID 123526673) is [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(C)c2n(c1-c1ccc(OC)c(OC)c1)-c1ccccc1C2.
What is the InChIKey of [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
The InChIKey is JBLHMEOVKNOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-17(13-29-23(26)24-2)22(16-9-10-20(27-3)21(12-16)28-4)25-18-8-6-5-7-15(18)11-19(14)25/h5-10,12H,11,13H2,1-4H3,(H,24,26).
What are the key properties of [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate?
[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate has a molecular weight of 392.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 123526673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).