2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione

C14H21NO4 — CID 106103032

IUPAC2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC1(O)CCOC1
InChIInChI=1S/C14H21NO4/c16-11-8-13(4-2-1-3-5-13)12(17)15(11)9-14(18)6-7-19-10-14/h18H,1-10H2
InChIKeyMTRBJQNSFWGLRR-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.85
Rot. Bonds2

About 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione

2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 106103032) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID106103032
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC1(O)CCOC1
InChIInChI=1S/C14H21NO4/c16-11-8-13(4-2-1-3-5-13)12(17)15(11)9-14(18)6-7-19-10-14/h18H,1-10H2
InChIKeyMTRBJQNSFWGLRR-UHFFFAOYSA-N
XLogP0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102
2-[(3-hydroxyoxolan-3-yl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106103059
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
5-ethyl-2-[(3-hydroxyoxolan-3-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106103060
2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106145904
1-[(1-hydroxycycloheptyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65122171
2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
CID 113414932
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808
2-hydroxy-2-azaspiro[4.11]hexadecane-1,3-dione
CID 10563768

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione (CID 106103032) is 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC1(O)CCOC1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is MTRBJQNSFWGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-11-8-13(4-2-1-3-5-13)12(17)15(11)9-14(18)6-7-19-10-14/h18H,1-10H2.
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 267.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 106103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).