(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol

C18H24N2O2 — CID 155984645

IUPAC(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
SMILESCc1c(CN2CC[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13-14-5-2-3-6-15(14)19-16(13)11-20-9-7-17(21)18(12-20)8-4-10-22-18/h2-3,5-6,17,19,21H,4,7-12H2,1H3/t17-,18-/m0/s1
InChIKeyMCTGRQNPVZXMDT-ROUUACIJSA-N
MW300.40 g/mol
LogP2.59
Rot. Bonds2

About (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol

(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol (PubChem CID 155984645) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
PubChem CID155984645
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
SMILESCc1c(CN2CC[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13-14-5-2-3-6-15(14)19-16(13)11-20-9-7-17(21)18(12-20)8-4-10-22-18/h2-3,5-6,17,19,21H,4,7-12H2,1H3/t17-,18-/m0/s1
InChIKeyMCTGRQNPVZXMDT-ROUUACIJSA-N
XLogP2.59
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
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,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol (CID 155984645) is (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol is Cc1c(CN2CC[C@H](O)[C@]3(CCCO3)C2)[nH]c2ccccc12.
What is the InChIKey of (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
The InChIKey is MCTGRQNPVZXMDT-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-14-5-2-3-6-15(14)19-16(13)11-20-9-7-17(21)18(12-20)8-4-10-22-18/h2-3,5-6,17,19,21H,4,7-12H2,1H3/t17-,18-/m0/s1.
What are the key properties of (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol?
(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol has a molecular weight of 300.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 155984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).