5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H19ClN2O — CID 83244732

IUPAC5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C1CC1)N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-10(11-2-3-11)19-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(19)20/h4-7,10-11,14,18H,2-3,8-9H2,1H3
InChIKeyLRQNGCOPHBQVTC-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.10
Rot. Bonds3

About 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83244732) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83244732
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C1CC1)N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-10(11-2-3-11)19-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(19)20/h4-7,10-11,14,18H,2-3,8-9H2,1H3
InChIKeyLRQNGCOPHBQVTC-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263091
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)imidazolidin-4-one
CID 83244273
6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248567
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)-5-ethylimidazolidin-4-one
CID 83243617
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248152
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83244732) is 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C1CC1)N1C(=O)C2(CC2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LRQNGCOPHBQVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(11-2-3-11)19-14(12-4-6-13(17)7-5-12)18-16(8-9-16)15(19)20/h4-7,10-11,14,18H,2-3,8-9H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.79 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83244732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).