7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

C11H17NO4 — CID 537023

IUPAC7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)CC2(CCO1)OC(=O)CC2C(N)=O
InChIInChI=1S/C11H17NO4/c1-10(2)6-11(3-4-15-10)7(9(12)14)5-8(13)16-11/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyGOXZGVWPFRCSHX-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.36
Rot. Bonds1

About 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (PubChem CID 537023) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
PubChem CID537023
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCC1(C)CC2(CCO1)OC(=O)CC2C(N)=O
InChIInChI=1S/C11H17NO4/c1-10(2)6-11(3-4-15-10)7(9(12)14)5-8(13)16-11/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyGOXZGVWPFRCSHX-UHFFFAOYSA-N
XLogP0.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 4315062
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
(4R,5R)-7,7-dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 752068
(4R,5S)-N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 907016
(4S,5S)-N-(2-chlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 719145
(4R,5S)-N-(3,4-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 1267467
(4R,5S)-7,7-dimethyl-N-(4-nitrophenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 7396088
7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 3239408
(4R,5S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
CID 95801000
ethyl (3R,4S,5R)-4-cyano-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylate
CID 98133970
ethyl (3R,4R,5S)-4-cyano-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylate
CID 7335029
(4R,5S)-7,7-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1,8-dioxaspiro[4.5]decan-2-one
CID 677786

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (CID 537023) is 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is CC1(C)CC2(CCO1)OC(=O)CC2C(N)=O.
What is the InChIKey of 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The InChIKey is GOXZGVWPFRCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-10(2)6-11(3-4-15-10)7(9(12)14)5-8(13)16-11/h7H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 537023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).