3,3,5-trimethyl-1-propylindol-2-one

C14H19NO — CID 69481776

IUPAC3,3,5-trimethyl-1-propylindol-2-one
SMILESCCCN1C(=O)C(C)(C)c2cc(C)ccc21
InChIInChI=1S/C14H19NO/c1-5-8-15-12-7-6-10(2)9-11(12)14(3,4)13(15)16/h6-7,9H,5,8H2,1-4H3
InChIKeyKVGBHLDWRRQBRT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.03
Rot. Bonds2

About 3,3,5-trimethyl-1-propylindol-2-one

3,3,5-trimethyl-1-propylindol-2-one (PubChem CID 69481776) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-propylindol-2-one.

Molecular Properties

Compound Name3,3,5-trimethyl-1-propylindol-2-one
PubChem CID69481776
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,3,5-trimethyl-1-propylindol-2-one
SMILESCCCN1C(=O)C(C)(C)c2cc(C)ccc21
InChIInChI=1S/C14H19NO/c1-5-8-15-12-7-6-10(2)9-11(12)14(3,4)13(15)16/h6-7,9H,5,8H2,1-4H3
InChIKeyKVGBHLDWRRQBRT-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-propylindol-2-one?
The IUPAC name of 3,3,5-trimethyl-1-propylindol-2-one (CID 69481776) is 3,3,5-trimethyl-1-propylindol-2-one.
What is the SMILES notation for 3,3,5-trimethyl-1-propylindol-2-one?
The canonical SMILES for 3,3,5-trimethyl-1-propylindol-2-one is CCCN1C(=O)C(C)(C)c2cc(C)ccc21.
What is the InChIKey of 3,3,5-trimethyl-1-propylindol-2-one?
The InChIKey is KVGBHLDWRRQBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-8-15-12-7-6-10(2)9-11(12)14(3,4)13(15)16/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-propylindol-2-one?
3,3,5-trimethyl-1-propylindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-propylindol-2-one is sourced from PubChem (CID 69481776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).