(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C19H24N2O3 — CID 110156922

IUPAC(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCO[C@H]1CN(C(=O)c2c(C)n(C)c3ccccc23)C[C@@]12CCCO2
InChIInChI=1S/C19H24N2O3/c1-13-17(14-7-4-5-8-15(14)20(13)2)18(22)21-11-16(23-3)19(12-21)9-6-10-24-19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-,19-/m0/s1
InChIKeyYKFMEMBJUXBVFQ-LPHOPBHVSA-N
MW328.41 g/mol
LogP2.51
Rot. Bonds2

About (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 110156922) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID110156922
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCO[C@H]1CN(C(=O)c2c(C)n(C)c3ccccc23)C[C@@]12CCCO2
InChIInChI=1S/C19H24N2O3/c1-13-17(14-7-4-5-8-15(14)20(13)2)18(22)21-11-16(23-3)19(12-21)9-6-10-24-19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-,19-/m0/s1
InChIKeyYKFMEMBJUXBVFQ-LPHOPBHVSA-N
XLogP2.51
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 110156922) is (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is CO[C@H]1CN(C(=O)c2c(C)n(C)c3ccccc23)C[C@@]12CCCO2.
What is the InChIKey of (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is YKFMEMBJUXBVFQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-17(14-7-4-5-8-15(14)20(13)2)18(22)21-11-16(23-3)19(12-21)9-6-10-24-19/h4-5,7-8,16H,6,9-12H2,1-3H3/t16-,19-/m0/s1.
What are the key properties of (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 110156922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).