7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C13H20N2O3 — CID 110921685

IUPAC7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1CC1(O)CCCCC1
InChIInChI=1S/C13H20N2O3/c16-10-13(7-4-8-13)14-11(17)15(10)9-12(18)5-2-1-3-6-12/h18H,1-9H2,(H,14,17)
InChIKeyRRQMJVSLVYWLPD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.16
Rot. Bonds2

About 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 110921685) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID110921685
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1CC1(O)CCCCC1
InChIInChI=1S/C13H20N2O3/c16-10-13(7-4-8-13)14-11(17)15(10)9-12(18)5-2-1-3-6-12/h18H,1-9H2,(H,14,17)
InChIKeyRRQMJVSLVYWLPD-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65002385
3'-[(1-hydroxycyclohexyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47556160
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-[2-(chloromethyl)prop-2-enyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 103065667

Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 110921685) is 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1CC1(O)CCCCC1.
What is the InChIKey of 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is RRQMJVSLVYWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-10-13(7-4-8-13)14-11(17)15(10)9-12(18)5-2-1-3-6-12/h18H,1-9H2,(H,14,17).
What are the key properties of 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 252.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 110921685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).