2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone

C12H19NO3 — CID 131655037

IUPAC2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)COC2
InChIInChI=1S/C12H19NO3/c14-11(10-2-1-7-16-10)13-5-3-12(4-6-13)8-15-9-12/h10H,1-9H2
InChIKeyFJFKINZMKVLRFN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds1

About 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone

2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone (PubChem CID 131655037) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
PubChem CID131655037
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)COC2
InChIInChI=1S/C12H19NO3/c14-11(10-2-1-7-16-10)13-5-3-12(4-6-13)8-15-9-12/h10H,1-9H2
InChIKeyFJFKINZMKVLRFN-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
CID 82044811

Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone?
The IUPAC name of 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone (CID 131655037) is 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone?
The canonical SMILES for 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC2(CC1)COC2.
What is the InChIKey of 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone?
The InChIKey is FJFKINZMKVLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(10-2-1-7-16-10)13-5-3-12(4-6-13)8-15-9-12/h10H,1-9H2.
What are the key properties of 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone?
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 131655037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).