6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one

C12H16N2O — CID 165440929

IUPAC6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1c(CN)ccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H16N2O/c1-7-8(6-13)4-5-9-10(7)14-11(15)12(9,2)3/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyNRMVKEYMOMOCAP-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds1

About 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one

6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one (PubChem CID 165440929) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one
PubChem CID165440929
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1c(CN)ccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H16N2O/c1-7-8(6-13)4-5-9-10(7)14-11(15)12(9,2)3/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyNRMVKEYMOMOCAP-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one?
The IUPAC name of 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one (CID 165440929) is 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one?
The canonical SMILES for 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one is Cc1c(CN)ccc2c1NC(=O)C2(C)C.
What is the InChIKey of 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one?
The InChIKey is NRMVKEYMOMOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-8(6-13)4-5-9-10(7)14-11(15)12(9,2)3/h4-5H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one?
6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 165440929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).