(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide

C11H17NO3 — CID 124706491

IUPAC(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
SMILESC[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1
InChIKeyJVHAXENLFFMZJO-SFYZADRCSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds1

About (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide

(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide (PubChem CID 124706491) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
PubChem CID124706491
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
SMILESC[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1
InChIKeyJVHAXENLFFMZJO-SFYZADRCSA-N
XLogP0.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
3-(2-oxopropyl)-1-oxaspiro[3.5]nonan-2-one
CID 102001925
ethyl 6-chloro-2-oxo-1-oxaspiro[4.5]decane-3-carboxylate
CID 71401178
(1-oxospiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 20731195
(3-oxospiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 20731211
8,10-diethylspiro[4-oxatricyclo[5.3.0.02,6]decane-5,1'-cyclopentane]-3-one
CID 58820849
(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
CID 143291862
(1S,2R,6R,7R)-spiro[4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-5,1'-cyclohexane]-3-one
CID 50897592
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
N,N-diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2836718
(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7102206

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide (CID 124706491) is (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide is C[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2.
What is the InChIKey of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The InChIKey is JVHAXENLFFMZJO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 124706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).