7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one

C12H16N2O — CID 82172446

IUPAC7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(C)N)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-6-4-9-7(2)12(15)14-11(9)10(5-6)8(3)13/h4-5,7-8H,13H2,1-3H3,(H,14,15)
InChIKeyDOJKRYQFLURTGQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds1

About 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one

7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172446) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172446
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(C)N)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-6-4-9-7(2)12(15)14-11(9)10(5-6)8(3)13/h4-5,7-8H,13H2,1-3H3,(H,14,15)
InChIKeyDOJKRYQFLURTGQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172446) is 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one is Cc1cc(C(C)N)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is DOJKRYQFLURTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6-4-9-7(2)12(15)14-11(9)10(5-6)8(3)13/h4-5,7-8H,13H2,1-3H3,(H,14,15).
What are the key properties of 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).