2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one

C18H18N2O — CID 162414572

IUPAC2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1cn(-c2ccccn2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)17(21)14-12-20(16-10-6-7-11-19-16)15-9-5-4-8-13(14)15/h4-12H,1-3H3
InChIKeyZIPHAYFMRDAZMZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.25
Rot. Bonds2

About 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one

2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one (PubChem CID 162414572) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one
PubChem CID162414572
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1cn(-c2ccccn2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-18(2,3)17(21)14-12-20(16-10-6-7-11-19-16)15-9-5-4-8-13(14)15/h4-12H,1-3H3
InChIKeyZIPHAYFMRDAZMZ-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.25
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-(1-pyridin-2-ylindol-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one (CID 162414572) is 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one is CC(C)(C)C(=O)c1cn(-c2ccccn2)c2ccccc12.
What is the InChIKey of 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one?
The InChIKey is ZIPHAYFMRDAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)17(21)14-12-20(16-10-6-7-11-19-16)15-9-5-4-8-13(14)15/h4-12H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one?
2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-pyridin-2-ylindol-3-yl)propan-1-one is sourced from PubChem (CID 162414572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).