7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one

C14H20N2O — CID 82190547

IUPAC7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one
SMILESCc1cc(CCCN)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O/c1-9-7-10(5-4-6-15)12-11(8-9)14(2,3)13(17)16-12/h7-8H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyWOVYOVFIFAJEQU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds3

About 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one

7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one (PubChem CID 82190547) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one
PubChem CID82190547
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one
SMILESCc1cc(CCCN)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O/c1-9-7-10(5-4-6-15)12-11(8-9)14(2,3)13(17)16-12/h7-8H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyWOVYOVFIFAJEQU-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one?
The IUPAC name of 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one (CID 82190547) is 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one?
The canonical SMILES for 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one is Cc1cc(CCCN)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one?
The InChIKey is WOVYOVFIFAJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-7-10(5-4-6-15)12-11(8-9)14(2,3)13(17)16-12/h7-8H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one?
7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3,3,5-trimethyl-1H-indol-2-one is sourced from PubChem (CID 82190547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).