2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

C12H16N2O2 — CID 24999432

IUPAC2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESC#CCN1OC2(CC1=O)CN1CCC2CC1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(15)8-12(16-14)9-13-6-3-10(12)4-7-13/h1,10H,3-9H2
InChIKeyUBDMZBAABOIQBG-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.25
Rot. Bonds1

About 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (PubChem CID 24999432) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.

Molecular Properties

Compound Name2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
PubChem CID24999432
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESC#CCN1OC2(CC1=O)CN1CCC2CC1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(15)8-12(16-14)9-13-6-3-10(12)4-7-13/h1,10H,3-9H2
InChIKeyUBDMZBAABOIQBG-UHFFFAOYSA-N
XLogP0.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3'-(2-methylpropyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,2-oxazole]
CID 25000383
(5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 142084309
3-methyl-1-prop-2-ynylpyrrolidin-2-one
CID 130957901
5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
CID 121320364
(5S)-3-thiophen-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91139368
3-ethynyl-3-[(3-ethynyl-1-azabicyclo[2.2.2]octan-3-yl)methoxymethyl]-1-azabicyclo[2.2.2]octane
CID 141066428
(4S)-3'-bromospiro[1-azabicyclo[2.2.1]heptane-3,5'-4H-1,2-oxazole]
CID 56649605
(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];(2S,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];dihydrochloride
CID 76965955
2,3-dihydroxybutanedioic acid;(3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
CID 87932085
N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
CID 137095060
(5R)-3-(4-methylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11427027
1-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-ylurea
CID 10020783

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The IUPAC name of 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (CID 24999432) is 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.
What is the SMILES notation for 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The canonical SMILES for 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is C#CCN1OC2(CC1=O)CN1CCC2CC1.
What is the InChIKey of 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The InChIKey is UBDMZBAABOIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-5-14-11(15)8-12(16-14)9-13-6-3-10(12)4-7-13/h1,10H,3-9H2.
What are the key properties of 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one has a molecular weight of 220.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is sourced from PubChem (CID 24999432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).