4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one

C17H22N2O — CID 112540759

IUPAC4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
SMILESCCn1cc(CCC(C)=O)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C17H22N2O/c1-4-19-11-13(6-5-12(2)20)16-7-14-9-18(3)10-15(14)8-17(16)19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyHCWXYRCMOIEUGI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.13
Rot. Bonds4

About 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one

4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one (PubChem CID 112540759) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
PubChem CID112540759
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
SMILESCCn1cc(CCC(C)=O)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C17H22N2O/c1-4-19-11-13(6-5-12(2)20)16-7-14-9-18(3)10-15(14)8-17(16)19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyHCWXYRCMOIEUGI-UHFFFAOYSA-N
XLogP3.13
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one?
The IUPAC name of 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one (CID 112540759) is 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one?
The canonical SMILES for 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one is CCn1cc(CCC(C)=O)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one?
The InChIKey is HCWXYRCMOIEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-19-11-13(6-5-12(2)20)16-7-14-9-18(3)10-15(14)8-17(16)19/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one?
4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one is sourced from PubChem (CID 112540759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).