7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C14H16N2O3 — CID 110005331

IUPAC7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1Cc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O3/c17-9-11-4-2-10(3-5-11)8-16-12(18)14(6-1-7-14)15-13(16)19/h2-5,17H,1,6-9H2,(H,15,19)
InChIKeyRGTBYUMDKTZXSG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.15
Rot. Bonds3

About 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 110005331) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID110005331
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1Cc1ccc(CO)cc1
InChIInChI=1S/C14H16N2O3/c17-9-11-4-2-10(3-5-11)8-16-12(18)14(6-1-7-14)15-13(16)19/h2-5,17H,1,6-9H2,(H,15,19)
InChIKeyRGTBYUMDKTZXSG-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.15
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-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
8-[2-(4-chlorophenyl)acetyl]-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278745
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 136532201

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 110005331) is 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1Cc1ccc(CO)cc1.
What is the InChIKey of 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is RGTBYUMDKTZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-9-11-4-2-10(3-5-11)8-16-12(18)14(6-1-7-14)15-13(16)19/h2-5,17H,1,6-9H2,(H,15,19).
What are the key properties of 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 260.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 110005331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).