6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C15H26N2O — CID 83244558

IUPAC6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)13-16-15(9-10-15)14(18)17(13)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3
InChIKeyBZNOVAKMVNZNEK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds2

About 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83244558) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83244558
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)13-16-15(9-10-15)14(18)17(13)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3
InChIKeyBZNOVAKMVNZNEK-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243550
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483
6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264077
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
6-(2-methyloxolan-3-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83259585
6-(dicyclopropylmethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252344
3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83243721
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258447
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83244558) is 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C1NC2(CC2)C(=O)N1C1CCCCCC1.
What is the InChIKey of 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is BZNOVAKMVNZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)13-16-15(9-10-15)14(18)17(13)12-7-5-3-4-6-8-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 250.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83244558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).