methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate

C15H18N2O2 — CID 83983835

IUPACmethyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C)c2cc3c(cc12)CN(C)C3
InChIInChI=1S/C15H18N2O2/c1-16-7-10-4-13-12(6-15(18)19-3)9-17(2)14(13)5-11(10)8-16/h4-5,9H,6-8H2,1-3H3
InChIKeyVLAOZMOFXSKPRN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate

methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate (PubChem CID 83983835) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
PubChem CID83983835
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C)c2cc3c(cc12)CN(C)C3
InChIInChI=1S/C15H18N2O2/c1-16-7-10-4-13-12(6-15(18)19-3)9-17(2)14(13)5-11(10)8-16/h4-5,9H,6-8H2,1-3H3
InChIKeyVLAOZMOFXSKPRN-UHFFFAOYSA-N
XLogP1.84
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The IUPAC name of methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate (CID 83983835) is methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The canonical SMILES for methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate is COC(=O)Cc1cn(C)c2cc3c(cc12)CN(C)C3.
What is the InChIKey of methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
The InChIKey is VLAOZMOFXSKPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-7-10-4-13-12(6-15(18)19-3)9-17(2)14(13)5-11(10)8-16/h4-5,9H,6-8H2,1-3H3.
What are the key properties of methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate?
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate has a molecular weight of 258.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate is sourced from PubChem (CID 83983835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).