3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C12H21ClN2O3 — CID 45260719

IUPAC3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H
InChIKeyBTLRIQYOATXZIP-UHFFFAOYSA-N
MW276.76 g/mol
LogP1.65
Rot. Bonds

About 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 45260719) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID45260719
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H
InChIKeyBTLRIQYOATXZIP-UHFFFAOYSA-N
XLogP1.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
CID 45264553
3-Ethyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 45260757
Methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride
CID 45260772
3-Ethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione hydrochloride
CID 45264590
3,8-Dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 45260748
8-Methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 45260758
(8-Methyl-2,4-dioxo-1-oxa-3,8-diaza-spiro[4.5]dec-3-yl)-acetic acid methyl ester
CID 14956869
Methyl 4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)butanoate;hydrochloride
CID 45260766
3-Ethyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 14956860
8-Methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
CID 14956864
3-Ethyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 12343449
3-tert-Butyl-8-methyl-1-oxa-3,8-diaza-spiro[4.5]decane-2,4-dione; hydrochloride
CID 14956861

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 45260719) is 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CN1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O.Cl.
What is the InChIKey of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is BTLRIQYOATXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H.
What are the key properties of 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 45260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).