(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

C14H23NO3 — CID 127631055

IUPAC(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESCCC1CCC(C(=O)N2CCOCC23CCC3)O1
InChIInChI=1S/C14H23NO3/c1-2-11-4-5-12(18-11)13(16)15-8-9-17-10-14(15)6-3-7-14/h11-12H,2-10H2,1H3
InChIKeyVXHCIGRJJAWBKR-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.73
Rot. Bonds2

About (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone

(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (PubChem CID 127631055) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.

Molecular Properties

Compound Name(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
PubChem CID127631055
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
SMILESCCC1CCC(C(=O)N2CCOCC23CCC3)O1
InChIInChI=1S/C14H23NO3/c1-2-11-4-5-12(18-11)13(16)15-8-9-17-10-14(15)6-3-7-14/h11-12H,2-10H2,1H3
InChIKeyVXHCIGRJJAWBKR-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365140
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102945062
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 120791334
1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353921
cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97491865
9-oxa-6-azaspiro[4.5]decane-6-carbohydrazide
CID 130908950
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
5-methyl-8-oxa-5-azaspiro[3.5]nonane
CID 130359992
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076202
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095

Frequently Asked Questions

What is the IUPAC name of (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The IUPAC name of (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone (CID 127631055) is (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone.
What is the SMILES notation for (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The canonical SMILES for (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is CCC1CCC(C(=O)N2CCOCC23CCC3)O1.
What is the InChIKey of (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
The InChIKey is VXHCIGRJJAWBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-11-4-5-12(18-11)13(16)15-8-9-17-10-14(15)6-3-7-14/h11-12H,2-10H2,1H3.
What are the key properties of (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone?
(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone is sourced from PubChem (CID 127631055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).