3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C11H19N3O — CID 86277613

IUPAC3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)C1=NC2(CCNCC2)C(=O)N1C
InChIInChI=1S/C11H19N3O/c1-8(2)9-13-11(10(15)14(9)3)4-6-12-7-5-11/h8,12H,4-7H2,1-3H3
InChIKeyLRQZKVWFPHCZKV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.64
Rot. Bonds1

About 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 86277613) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID86277613
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)C1=NC2(CCNCC2)C(=O)N1C
InChIInChI=1S/C11H19N3O/c1-8(2)9-13-11(10(15)14(9)3)4-6-12-7-5-11/h8,12H,4-7H2,1-3H3
InChIKeyLRQZKVWFPHCZKV-UHFFFAOYSA-N
XLogP0.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411778
3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146635627
tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
CID 118994116
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CID 171080791
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
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2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
aziridine;1,1-dibromoethane
CID 175898882
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
1-methyl-4-sulfanylidene-1,3,8-triazaspiro[4.5]decan-2-one
CID 154381119
3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 83885529
4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814342
2-(4-tert-butylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 86277613) is 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)C1=NC2(CCNCC2)C(=O)N1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is LRQZKVWFPHCZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)9-13-11(10(15)14(9)3)4-6-12-7-5-11/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 86277613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).