1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one

C16H20N2O — CID 42602878

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one
SMILESCN1C2CCC1CC(N1C(=O)Cc3ccccc31)C2
InChIInChI=1S/C16H20N2O/c1-17-12-6-7-13(17)10-14(9-12)18-15-5-3-2-4-11(15)8-16(18)19/h2-5,12-14H,6-10H2,1H3
InChIKeySTKNDKXDHHJNSE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds1

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one (PubChem CID 42602878) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one
PubChem CID42602878
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one
SMILESCN1C2CCC1CC(N1C(=O)Cc3ccccc31)C2
InChIInChI=1S/C16H20N2O/c1-17-12-6-7-13(17)10-14(9-12)18-15-5-3-2-4-11(15)8-16(18)19/h2-5,12-14H,6-10H2,1H3
InChIKeySTKNDKXDHHJNSE-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one (CID 42602878) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one is CN1C2CCC1CC(N1C(=O)Cc3ccccc31)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one?
The InChIKey is STKNDKXDHHJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-12-6-7-13(17)10-14(9-12)18-15-5-3-2-4-11(15)8-16(18)19/h2-5,12-14H,6-10H2,1H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one is sourced from PubChem (CID 42602878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).