(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C20H23N3O3 — CID 97139210

IUPAC(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H23N3O3/c24-18-8-9-20(10-13-26-15-20)14-22(18)11-12-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2/t20-/m0/s1
InChIKeyDSVBIEQWJOZLOE-FQEVSTJZSA-N
MW353.42 g/mol
LogP1.94
Rot. Bonds4

About (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97139210) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97139210
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H23N3O3/c24-18-8-9-20(10-13-26-15-20)14-22(18)11-12-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2/t20-/m0/s1
InChIKeyDSVBIEQWJOZLOE-FQEVSTJZSA-N
XLogP1.94
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97139210) is (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is DSVBIEQWJOZLOE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-8-9-20(10-13-26-15-20)14-22(18)11-12-23-19(25)7-6-17(21-23)16-4-2-1-3-5-16/h1-7H,8-15H2/t20-/m0/s1.
What are the key properties of (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 353.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97139210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).