2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one

C16H17NO2 — CID 10934079

IUPAC2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one
SMILESCn1cc2c(oc3ccccc32)c1C(=O)C(C)(C)C
InChIInChI=1S/C16H17NO2/c1-16(2,3)15(18)13-14-11(9-17(13)4)10-7-5-6-8-12(10)19-14/h5-9H,1-4H3
InChIKeyLORLYGRREMMZEN-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.15
Rot. Bonds1

About 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one

2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one (PubChem CID 10934079) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one
PubChem CID10934079
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one
SMILESCn1cc2c(oc3ccccc32)c1C(=O)C(C)(C)C
InChIInChI=1S/C16H17NO2/c1-16(2,3)15(18)13-14-11(9-17(13)4)10-7-5-6-8-12(10)19-14/h5-9H,1-4H3
InChIKeyLORLYGRREMMZEN-UHFFFAOYSA-N
XLogP4.15
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one (CID 10934079) is 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one is Cn1cc2c(oc3ccccc32)c1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one?
The InChIKey is LORLYGRREMMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2,3)15(18)13-14-11(9-17(13)4)10-7-5-6-8-12(10)19-14/h5-9H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one?
2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-[1]benzofuro[2,3-c]pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 10934079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).