6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H24N2O — CID 83263876

IUPAC6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccccc1C1NC2(CC2)C(=O)N1C(C)CC1CC1
InChIInChI=1S/C18H24N2O/c1-12-5-3-4-6-15(12)16-19-18(9-10-18)17(21)20(16)13(2)11-14-7-8-14/h3-6,13-14,16,19H,7-11H2,1-2H3
InChIKeyCCKRRHADGJONQX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds4

About 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263876) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263876
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccccc1C1NC2(CC2)C(=O)N1C(C)CC1CC1
InChIInChI=1S/C18H24N2O/c1-12-5-3-4-6-15(12)16-19-18(9-10-18)17(21)20(16)13(2)11-14-7-8-14/h3-6,13-14,16,19H,7-11H2,1-2H3
InChIKeyCCKRRHADGJONQX-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
3-(1-cyclopropylpropan-2-yl)-5-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83257886
6-(2-cyclopropylethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268642
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248567
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
6-(2-ethoxyethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237372
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263091
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
3-(cyclopropylmethyl)-2-(2-methylphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83247754
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83263876) is 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is Cc1ccccc1C1NC2(CC2)C(=O)N1C(C)CC1CC1.
What is the InChIKey of 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CCKRRHADGJONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-5-3-4-6-15(12)16-19-18(9-10-18)17(21)20(16)13(2)11-14-7-8-14/h3-6,13-14,16,19H,7-11H2,1-2H3.
What are the key properties of 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 284.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).