6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H20N2O2 — CID 83245154

IUPAC6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-10-9-11(3-6-13(10)20-2)14-17-16(7-8-16)15(19)18(14)12-4-5-12/h3,6,9,12,14,17H,4-5,7-8H2,1-2H3
InChIKeySWUWZNAGCHGRJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds3

About 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245154) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245154
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-10-9-11(3-6-13(10)20-2)14-17-16(7-8-16)15(19)18(14)12-4-5-12/h3,6,9,12,14,17H,4-5,7-8H2,1-2H3
InChIKeySWUWZNAGCHGRJT-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245154) is 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is COc1ccc(C2NC3(CC3)C(=O)N2C2CC2)cc1C.
What is the InChIKey of 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is SWUWZNAGCHGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-9-11(3-6-13(10)20-2)14-17-16(7-8-16)15(19)18(14)12-4-5-12/h3,6,9,12,14,17H,4-5,7-8H2,1-2H3.
What are the key properties of 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 272.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).