6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H24N2O — CID 83248567

IUPAC6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2C(C)C2CC2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-11-4-7-15(12(2)10-11)16-19-18(8-9-18)17(21)20(16)13(3)14-5-6-14/h4,7,10,13-14,16,19H,5-6,8-9H2,1-3H3
InChIKeyYHXXZVNXQQVYHN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.06
Rot. Bonds3

About 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248567) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248567
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2C(C)C2CC2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-11-4-7-15(12(2)10-11)16-19-18(8-9-18)17(21)20(16)13(3)14-5-6-14/h4,7,10,13-14,16,19H,5-6,8-9H2,1-3H3
InChIKeyYHXXZVNXQQVYHN-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248567) is 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is Cc1ccc(C2NC3(CC3)C(=O)N2C(C)C2CC2)c(C)c1.
What is the InChIKey of 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is YHXXZVNXQQVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-4-7-15(12(2)10-11)16-19-18(8-9-18)17(21)20(16)13(3)14-5-6-14/h4,7,10,13-14,16,19H,5-6,8-9H2,1-3H3.
What are the key properties of 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 284.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).