(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one

C12H20N2O3 — CID 100955096

IUPAC(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one
SMILESCC1CN=NC12C(=O)OC(C(C)(C)C)OC2C
InChIInChI=1S/C12H20N2O3/c1-7-6-13-14-12(7)8(2)16-10(11(3,4)5)17-9(12)15/h7-8,10H,6H2,1-5H3
InChIKeyNBNHBFBTDHDSFV-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.16
Rot. Bonds

About (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one

(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one (PubChem CID 100955096) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one.

Molecular Properties

Compound Name(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one
PubChem CID100955096
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one
SMILESCC1CN=NC12C(=O)OC(C(C)(C)C)OC2C
InChIInChI=1S/C12H20N2O3/c1-7-6-13-14-12(7)8(2)16-10(11(3,4)5)17-9(12)15/h7-8,10H,6H2,1-5H3
InChIKeyNBNHBFBTDHDSFV-UHFFFAOYSA-N
XLogP2.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one with MolForge

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Related Compounds

(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362395
2-tert-butyl-5,5,6-trimethyl-1,3-dioxan-4-one
CID 550947
(2R,4R,6R)-6-tert-butyl-1,2,4-trimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362390
2-tert-butyl-1,3-dioxaspiro[4.5]dec-7-en-4-one
CID 10608514
2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
2-tert-butyl-4a-[(E)-3-chlorobut-2-enyl]-5,6,7,7a-tetrahydrocyclopenta[d][1,3]dioxin-4-one
CID 5370992
(2S,5R)-2-tert-butyl-5-methyl-5-prop-2-enyl-1,3-dioxolan-4-one
CID 11030787
(4S,6S)-6-tert-butyl-3,3-dichloro-5,7-dioxaspiro[3.4]octane-2,8-dione
CID 102182327
(1'R,2S,4'R,5R)-2-tert-butylspiro[1,3-dioxolane-5,5'-bicyclo[2.2.1]hept-2-ene]-4-one
CID 11770048
(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
CID 91701869
4a-but-3-enyl-2-tert-butyl-5,6,7,7a-tetrahydrocyclopenta[d][1,3]dioxin-4-one
CID 564361
(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
CID 14114159

Frequently Asked Questions

What is the IUPAC name of (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one?
The IUPAC name of (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one (CID 100955096) is (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one.
What is the SMILES notation for (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one?
The canonical SMILES for (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one is CC1CN=NC12C(=O)OC(C(C)(C)C)OC2C.
What is the InChIKey of (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one?
The InChIKey is NBNHBFBTDHDSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-6-13-14-12(7)8(2)16-10(11(3,4)5)17-9(12)15/h7-8,10H,6H2,1-5H3.
What are the key properties of (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one?
(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one has a molecular weight of 240.30 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one is sourced from PubChem (CID 100955096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).