6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H20N2O2 — CID 83244933

IUPAC6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESC=CCOc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-11-21-14-7-3-12(4-8-14)15-18-17(9-10-17)16(20)19(15)13-5-6-13/h2-4,7-8,13,15,18H,1,5-6,9-11H2
InChIKeyDMUBPHYTFHOWJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds5

About 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83244933) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83244933
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESC=CCOc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-11-21-14-7-3-12(4-8-14)15-18-17(9-10-17)16(20)19(15)13-5-6-13/h2-4,7-8,13,15,18H,1,5-6,9-11H2
InChIKeyDMUBPHYTFHOWJK-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83244933) is 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one is C=CCOc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1.
What is the InChIKey of 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is DMUBPHYTFHOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-11-21-14-7-3-12(4-8-14)15-18-17(9-10-17)16(20)19(15)13-5-6-13/h2-4,7-8,13,15,18H,1,5-6,9-11H2.
What are the key properties of 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 284.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83244933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).