3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione

C17H27NO3 — CID 106364743

IUPAC3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1C1CCCCC1CO
InChIInChI=1S/C17H27NO3/c19-12-13-6-2-3-7-14(13)18-15(20)10-17(11-16(18)21)8-4-1-5-9-17/h13-14,19H,1-12H2
InChIKeyOBUSWKLLMOYQFU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.64
Rot. Bonds2

About 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106364743) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106364743
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1C1CCCCC1CO
InChIInChI=1S/C17H27NO3/c19-12-13-6-2-3-7-14(13)18-15(20)10-17(11-16(18)21)8-4-1-5-9-17/h13-14,19H,1-12H2
InChIKeyOBUSWKLLMOYQFU-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.64
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

8-(2-aminocyclohexyl)-8-azaspiro[4.5]decane-7,9-dione
CID 61349994
3-cyclohexyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489474
3-(2-aminocyclopentyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 63252503
[2-(2-azaspiro[3.5]nonan-2-yl)cyclohexyl]methanol
CID 114179212
1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
CID 114179218
2-[2-(hydroxymethyl)cyclopentyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106364697
2-[2-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106364689
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
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
(9R,9aR)-9-(hydroxymethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 130756851
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 106364743) is 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1C1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is OBUSWKLLMOYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-12-13-6-2-3-7-14(13)18-15(20)10-17(11-16(18)21)8-4-1-5-9-17/h13-14,19H,1-12H2.
What are the key properties of 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106364743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).