7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one

C11H20N2O — CID 139457817

IUPAC7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)CN1CCC2(CCC(=O)N2)C1
InChIInChI=1S/C11H20N2O/c1-9(2)7-13-6-5-11(8-13)4-3-10(14)12-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyZDZGBPXCOZXVNP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds2

About 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one

7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 139457817) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID139457817
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)CN1CCC2(CCC(=O)N2)C1
InChIInChI=1S/C11H20N2O/c1-9(2)7-13-6-5-11(8-13)4-3-10(14)12-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyZDZGBPXCOZXVNP-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one (CID 139457817) is 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one is CC(C)CN1CCC2(CCC(=O)N2)C1.
What is the InChIKey of 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZDZGBPXCOZXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)7-13-6-5-11(8-13)4-3-10(14)12-11/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one?
7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 139457817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).