(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C18H22N2O2 — CID 171942093

IUPAC(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C18H22N2O2/c1-19-6-5-12-7-13(3-4-17(12)19)18(21)14-8-15-10-22-11-16(9-14)20(15)2/h3-7,14-16H,8-11H2,1-2H3
InChIKeyJOKNVNOPRSGASF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.47
Rot. Bonds2

About (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171942093) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171942093
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C18H22N2O2/c1-19-6-5-12-7-13(3-4-17(12)19)18(21)14-8-15-10-22-11-16(9-14)20(15)2/h3-7,14-16H,8-11H2,1-2H3
InChIKeyJOKNVNOPRSGASF-UHFFFAOYSA-N
XLogP2.47
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171942093) is (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1ccc3c(ccn3C)c1)C2.
What is the InChIKey of (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is JOKNVNOPRSGASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-6-5-12-7-13(3-4-17(12)19)18(21)14-8-15-10-22-11-16(9-14)20(15)2/h3-7,14-16H,8-11H2,1-2H3.
What are the key properties of (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171942093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).