5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

C17H24N2O — CID 83241982

IUPAC5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-11-19-15(18-17(9-10-17)16(19)20)14-7-5-13(6-8-14)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3
InChIKeyXAPUYXREOJBGGZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.18
Rot. Bonds4

About 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83241982) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83241982
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-11-19-15(18-17(9-10-17)16(19)20)14-7-5-13(6-8-14)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3
InChIKeyXAPUYXREOJBGGZ-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83241982) is 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XAPUYXREOJBGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-11-19-15(18-17(9-10-17)16(19)20)14-7-5-13(6-8-14)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3.
What are the key properties of 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 272.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83241982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).