5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H20N2O3 — CID 83267252

IUPAC5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CCOC2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-13-4-2-11(3-5-13)14-17-16(7-8-16)15(19)18(14)12-6-9-21-10-12/h2-5,12,14,17H,6-10H2,1H3
InChIKeyRFJMUDNJNLBFSZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.45
Rot. Bonds3

About 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267252) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267252
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CCOC2)cc1
InChIInChI=1S/C16H20N2O3/c1-20-13-4-2-11(3-5-13)14-17-16(7-8-16)15(19)18(14)12-6-9-21-10-12/h2-5,12,14,17H,6-10H2,1H3
InChIKeyRFJMUDNJNLBFSZ-UHFFFAOYSA-N
XLogP1.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83267252) is 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is COc1ccc(C2NC3(CC3)C(=O)N2C2CCOC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RFJMUDNJNLBFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-13-4-2-11(3-5-13)14-17-16(7-8-16)15(19)18(14)12-6-9-21-10-12/h2-5,12,14,17H,6-10H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).