(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H22N2O3Si — CID 99796687

IUPAC(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[Si](C)(C)c1ccc(CN2C(=O)N[C@]3(CCOC3)C2=O)cc1
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)13-6-4-12(5-7-13)10-18-14(19)16(17-15(18)20)8-9-21-11-16/h4-7H,8-11H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyWNMXDKVLHGTZEI-INIZCTEOSA-N
MW318.45 g/mol
LogP1.44
Rot. Bonds3

About (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 99796687) has the molecular formula C16H22N2O3Si and a molecular weight of 318.45 g/mol. Its IUPAC name is (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID99796687
Molecular FormulaC16H22N2O3Si
Molecular Weight318.45 g/mol
Exact Mass318.14
IUPAC Name(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[Si](C)(C)c1ccc(CN2C(=O)N[C@]3(CCOC3)C2=O)cc1
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)13-6-4-12(5-7-13)10-18-14(19)16(17-15(18)20)8-9-21-11-16/h4-7H,8-11H2,1-3H3,(H,17,20)/t16-/m0/s1
InChIKeyWNMXDKVLHGTZEI-INIZCTEOSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
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
(5R)-3-[3-(3-fluorophenyl)propyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97340570
(5S)-3-[(4-phenylcyclohexyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99823283
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528178

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 99796687) is (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is C[Si](C)(C)c1ccc(CN2C(=O)N[C@]3(CCOC3)C2=O)cc1.
What is the InChIKey of (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WNMXDKVLHGTZEI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O3Si/c1-22(2,3)13-6-4-12(5-7-13)10-18-14(19)16(17-15(18)20)8-9-21-11-16/h4-7H,8-11H2,1-3H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 318.45 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-trimethylsilylphenyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 99796687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).