1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid

C17H22N2O3 — CID 83984047

IUPAC1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
SMILESCC(C)OCCN1Cc2cc3c(C(=O)O)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O3/c1-11(2)22-5-4-19-8-12-6-14-15(17(20)21)10-18(3)16(14)7-13(12)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyOGHLMJYHKDWDHT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.62
Rot. Bonds5

About 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid

1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid (PubChem CID 83984047) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
PubChem CID83984047
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
SMILESCC(C)OCCN1Cc2cc3c(C(=O)O)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O3/c1-11(2)22-5-4-19-8-12-6-14-15(17(20)21)10-18(3)16(14)7-13(12)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyOGHLMJYHKDWDHT-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid?
The IUPAC name of 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid (CID 83984047) is 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid is CC(C)OCCN1Cc2cc3c(C(=O)O)cn(C)c3cc2C1.
What is the InChIKey of 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid?
The InChIKey is OGHLMJYHKDWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)22-5-4-19-8-12-6-14-15(17(20)21)10-18(3)16(14)7-13(12)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid?
1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid is sourced from PubChem (CID 83984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).