3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one

C14H24N2O2 — CID 110196188

IUPAC3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCC(C)C(=O)N1CCC2(CCNC(=O)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11(2)13(18)16-9-6-14(7-10-16)4-3-12(17)15-8-5-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyYPQLCFAJLTYBMG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds1

About 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 110196188) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID110196188
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCC(C)C(=O)N1CCC2(CCNC(=O)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11(2)13(18)16-9-6-14(7-10-16)4-3-12(17)15-8-5-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyYPQLCFAJLTYBMG-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 110196188) is 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one is CC(C)C(=O)N1CCC2(CCNC(=O)CC2)CC1.
What is the InChIKey of 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is YPQLCFAJLTYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)13(18)16-9-6-14(7-10-16)4-3-12(17)15-8-5-14/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 252.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 110196188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).