3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione

C15H23NO3 — CID 115455509

IUPAC3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC1(CO)CC1
InChIInChI=1S/C15H23NO3/c17-11-15(6-7-15)10-16-12(18)8-14(9-13(16)19)4-2-1-3-5-14/h17H,1-11H2
InChIKeyBPTZFMUBDYPODV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.86
Rot. Bonds3

About 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 115455509) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID115455509
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC1(CO)CC1
InChIInChI=1S/C15H23NO3/c17-11-15(6-7-15)10-16-12(18)8-14(9-13(16)19)4-2-1-3-5-14/h17H,1-11H2
InChIKeyBPTZFMUBDYPODV-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
CID 43804742
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 165344828
8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 106253808
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 115363188
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
CID 46934489
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 115455509) is 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1CC1(CO)CC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is BPTZFMUBDYPODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-11-15(6-7-15)10-16-12(18)8-14(9-13(16)19)4-2-1-3-5-14/h17H,1-11H2.
What are the key properties of 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 265.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 115455509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).