5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one

C10H16N2O — CID 58810593

IUPAC5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCC(C)C(C)C1=NC2(CC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-6(2)7(3)8-11-9(13)10(12-8)4-5-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNGSKZHCFVIYYHP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds2

About 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one

5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 58810593) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one
PubChem CID58810593
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCC(C)C(C)C1=NC2(CC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-6(2)7(3)8-11-9(13)10(12-8)4-5-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNGSKZHCFVIYYHP-UHFFFAOYSA-N
XLogP1.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 58810593) is 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one is CC(C)C(C)C1=NC2(CC2)C(=O)N1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is NGSKZHCFVIYYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)7(3)8-11-9(13)10(12-8)4-5-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one?
5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 180.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 58810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).