(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione

C10H16N2O2 — CID 177290980

IUPAC(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)[C@@H]1CC[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H16N2O2/c1-6(2)7-3-4-10(5-7)8(13)11-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)/t7-,10+/m1/s1
InChIKeyBTNJAPMXMQEEOF-XCBNKYQSSA-N
MW196.25 g/mol
LogP1.02
Rot. Bonds1

About (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 177290980) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID177290980
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)[C@@H]1CC[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C10H16N2O2/c1-6(2)7-3-4-10(5-7)8(13)11-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)/t7-,10+/m1/s1
InChIKeyBTNJAPMXMQEEOF-XCBNKYQSSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 177290980) is (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C)[C@@H]1CC[C@@]2(C1)NC(=O)NC2=O.
What is the InChIKey of (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BTNJAPMXMQEEOF-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)7-3-4-10(5-7)8(13)11-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)/t7-,10+/m1/s1.
What are the key properties of (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 177290980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).