5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H19ClN2O — CID 83248152

IUPAC5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-15(2)9-12(15)19-13(10-3-5-11(17)6-4-10)18-16(7-8-16)14(19)20/h3-6,12-13,18H,7-9H2,1-2H3
InChIKeyYOEMQCNTYBDDLU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.10
Rot. Bonds2

About 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248152) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248152
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-15(2)9-12(15)19-13(10-3-5-11(17)6-4-10)18-16(7-8-16)14(19)20/h3-6,12-13,18H,7-9H2,1-2H3
InChIKeyYOEMQCNTYBDDLU-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248620
5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248621
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244732
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250307
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83264030
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267205
3-(2,2-dimethylcyclopropyl)-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83247124

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248152) is 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is YOEMQCNTYBDDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-15(2)9-12(15)19-13(10-3-5-11(17)6-4-10)18-16(7-8-16)14(19)20/h3-6,12-13,18H,7-9H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.79 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).