9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H23N3O2 — CID 20537368

IUPAC9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1
InChIInChI=1S/C18H23N3O2/c22-17-12-23-18(13-20-17)6-9-21(10-7-18)8-5-14-11-19-16-4-2-1-3-15(14)16/h1-4,11,19H,5-10,12-13H2,(H,20,22)
InChIKeySPALXTYNFFFDEM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.69
Rot. Bonds3

About 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20537368) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20537368
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1
InChIInChI=1S/C18H23N3O2/c22-17-12-23-18(13-20-17)6-9-21(10-7-18)8-5-14-11-19-16-4-2-1-3-15(14)16/h1-4,11,19H,5-10,12-13H2,(H,20,22)
InChIKeySPALXTYNFFFDEM-UHFFFAOYSA-N
XLogP1.69
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20537368) is 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1.
What is the InChIKey of 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SPALXTYNFFFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-12-23-18(13-20-17)6-9-21(10-7-18)8-5-14-11-19-16-4-2-1-3-15(14)16/h1-4,11,19H,5-10,12-13H2,(H,20,22).
What are the key properties of 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 313.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20537368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).