(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C10H17N3O2 — CID 176953118

IUPAC(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCC[C@H]1NC(=O)C2(CCNCC2)NC1=O
InChIInChI=1S/C10H17N3O2/c1-2-7-8(14)13-10(9(15)12-7)3-5-11-6-4-10/h7,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyZFMBHYJKUZPNIP-SSDOTTSWSA-N
MW211.26 g/mol
LogP-0.87
Rot. Bonds1

About (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 176953118) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID176953118
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCC[C@H]1NC(=O)C2(CCNCC2)NC1=O
InChIInChI=1S/C10H17N3O2/c1-2-7-8(14)13-10(9(15)12-7)3-5-11-6-4-10/h7,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyZFMBHYJKUZPNIP-SSDOTTSWSA-N
XLogP-0.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64883670
2-sulfanyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 175854688
(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 131931832
6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 64883494
ethane;1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 142838898
3-butan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64883688
1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 66741717
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 82996588
7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 146373706
1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68564691
3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 146373701

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 176953118) is (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CC[C@H]1NC(=O)C2(CCNCC2)NC1=O.
What is the InChIKey of (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is ZFMBHYJKUZPNIP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-7-8(14)13-10(9(15)12-7)3-5-11-6-4-10/h7,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 176953118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).