2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one

C14H16N2O — CID 142266679

IUPAC2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1cc2c3c(ccc2[nH]1)NCC3
InChIInChI=1S/C14H16N2O/c1-8(2)14(17)13-7-10-9-5-6-15-11(9)3-4-12(10)16-13/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyOZXMHOBQNBIZLY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.97
Rot. Bonds2

About 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one

2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one (PubChem CID 142266679) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one
PubChem CID142266679
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1cc2c3c(ccc2[nH]1)NCC3
InChIInChI=1S/C14H16N2O/c1-8(2)14(17)13-7-10-9-5-6-15-11(9)3-4-12(10)16-13/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyOZXMHOBQNBIZLY-UHFFFAOYSA-N
XLogP2.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one (CID 142266679) is 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one is CC(C)C(=O)c1cc2c3c(ccc2[nH]1)NCC3.
What is the InChIKey of 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one?
The InChIKey is OZXMHOBQNBIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8(2)14(17)13-7-10-9-5-6-15-11(9)3-4-12(10)16-13/h3-4,7-8,15-16H,5-6H2,1-2H3.
What are the key properties of 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one?
2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one is sourced from PubChem (CID 142266679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).