2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one

C10H16N2O — CID 138707399

IUPAC2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySCOOREQSLVDFGH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.48
Rot. Bonds1

About 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one

2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 138707399) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID138707399
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySCOOREQSLVDFGH-UHFFFAOYSA-N
XLogP1.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 138707399) is 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one is CC(C)C1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is SCOOREQSLVDFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 138707399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).