(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate

C17H18N2O3 — CID 14403147

IUPAC(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate
SMILESCN1C2CC(OC(=O)c3c[nH]c4ccccc34)CC1C1OC12
InChIInChI=1S/C17H18N2O3/c1-19-13-6-9(7-14(19)16-15(13)22-16)21-17(20)11-8-18-12-5-3-2-4-10(11)12/h2-5,8-9,13-16,18H,6-7H2,1H3
InChIKeyNVYPANNIKFKQTB-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.94
Rot. Bonds2

About (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate

(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate (PubChem CID 14403147) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate
PubChem CID14403147
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate
SMILESCN1C2CC(OC(=O)c3c[nH]c4ccccc34)CC1C1OC12
InChIInChI=1S/C17H18N2O3/c1-19-13-6-9(7-14(19)16-15(13)22-16)21-17(20)11-8-18-12-5-3-2-4-10(11)12/h2-5,8-9,13-16,18H,6-7H2,1H3
InChIKeyNVYPANNIKFKQTB-UHFFFAOYSA-N
XLogP1.94
TPSA57.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate?
The IUPAC name of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate (CID 14403147) is (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate.
What is the SMILES notation for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate?
The canonical SMILES for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate is CN1C2CC(OC(=O)c3c[nH]c4ccccc34)CC1C1OC12.
What is the InChIKey of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate?
The InChIKey is NVYPANNIKFKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-13-6-9(7-14(19)16-15(13)22-16)21-17(20)11-8-18-12-5-3-2-4-10(11)12/h2-5,8-9,13-16,18H,6-7H2,1H3.
What are the key properties of (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate?
(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 1H-indole-3-carboxylate is sourced from PubChem (CID 14403147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).