propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

C20H28N2O2 — CID 83984373

IUPACpropan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCc1c(C(=O)OC(C)C)c2cc3c(cc2n1C)CN(C(C)(C)C)C3
InChIInChI=1S/C20H28N2O2/c1-12(2)24-19(23)18-13(3)21(7)17-9-15-11-22(20(4,5)6)10-14(15)8-16(17)18/h8-9,12H,10-11H2,1-7H3
InChIKeyWDPJHTRIJKFTGS-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.17
Rot. Bonds2

About propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate

propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (PubChem CID 83984373) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
PubChem CID83984373
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Namepropan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
SMILESCc1c(C(=O)OC(C)C)c2cc3c(cc2n1C)CN(C(C)(C)C)C3
InChIInChI=1S/C20H28N2O2/c1-12(2)24-19(23)18-13(3)21(7)17-9-15-11-22(20(4,5)6)10-14(15)8-16(17)18/h8-9,12H,10-11H2,1-7H3
InChIKeyWDPJHTRIJKFTGS-UHFFFAOYSA-N
XLogP4.17
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The IUPAC name of propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate (CID 83984373) is propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The canonical SMILES for propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is Cc1c(C(=O)OC(C)C)c2cc3c(cc2n1C)CN(C(C)(C)C)C3.
What is the InChIKey of propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
The InChIKey is WDPJHTRIJKFTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12(2)24-19(23)18-13(3)21(7)17-9-15-11-22(20(4,5)6)10-14(15)8-16(17)18/h8-9,12H,10-11H2,1-7H3.
What are the key properties of propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate?
propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate is sourced from PubChem (CID 83984373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).