(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C19H23N3O3 — CID 126424547

IUPAC(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCCc1c(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)[nH]c2ccccc12
InChIInChI=1S/C19H23N3O3/c1-3-13-14-6-4-5-7-15(14)20-17(13)18(24)22-9-8-19(12-22)11-21(2)16(23)10-25-19/h4-7,20H,3,8-12H2,1-2H3/t19-/m0/s1
InChIKeyNDVWUBUAWJQSFE-IBGZPJMESA-N
MW341.41 g/mol
LogP1.80
Rot. Bonds2

About (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 126424547) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID126424547
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCCc1c(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)[nH]c2ccccc12
InChIInChI=1S/C19H23N3O3/c1-3-13-14-6-4-5-7-15(14)20-17(13)18(24)22-9-8-19(12-22)11-21(2)16(23)10-25-19/h4-7,20H,3,8-12H2,1-2H3/t19-/m0/s1
InChIKeyNDVWUBUAWJQSFE-IBGZPJMESA-N
XLogP1.80
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 126424547) is (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CCc1c(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)[nH]c2ccccc12.
What is the InChIKey of (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is NDVWUBUAWJQSFE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-13-14-6-4-5-7-15(14)20-17(13)18(24)22-9-8-19(12-22)11-21(2)16(23)10-25-19/h4-7,20H,3,8-12H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 341.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 126424547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).