3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one

C19H22N2O — CID 135197002

IUPAC3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(CC(C)c2ccc[nH]c2=O)c2cc[nH]c12
InChIInChI=1S/C19H22N2O/c1-12(2)15-7-6-14(17-8-10-20-18(15)17)11-13(3)16-5-4-9-21-19(16)22/h4-10,12-13,20H,11H2,1-3H3,(H,21,22)
InChIKeyJYBVFMBAZOAPET-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.33
Rot. Bonds4

About 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one

3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one (PubChem CID 135197002) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
PubChem CID135197002
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(CC(C)c2ccc[nH]c2=O)c2cc[nH]c12
InChIInChI=1S/C19H22N2O/c1-12(2)15-7-6-14(17-8-10-20-18(15)17)11-13(3)16-5-4-9-21-19(16)22/h4-10,12-13,20H,11H2,1-3H3,(H,21,22)
InChIKeyJYBVFMBAZOAPET-UHFFFAOYSA-N
XLogP4.33
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one (CID 135197002) is 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one is CC(C)c1ccc(CC(C)c2ccc[nH]c2=O)c2cc[nH]c12.
What is the InChIKey of 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one?
The InChIKey is JYBVFMBAZOAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12(2)15-7-6-14(17-8-10-20-18(15)17)11-13(3)16-5-4-9-21-19(16)22/h4-10,12-13,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one?
3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135197002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).