7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one

C11H20N2O — CID 167428093

IUPAC7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCC(C)C1CC2(CCCN2)C(=O)N1C
InChIInChI=1S/C11H20N2O/c1-8(2)9-7-11(5-4-6-12-11)10(14)13(9)3/h8-9,12H,4-7H2,1-3H3
InChIKeyZPLNVIXKPUNPBN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds1

About 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one

7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 167428093) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID167428093
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCC(C)C1CC2(CCCN2)C(=O)N1C
InChIInChI=1S/C11H20N2O/c1-8(2)9-7-11(5-4-6-12-11)10(14)13(9)3/h8-9,12H,4-7H2,1-3H3
InChIKeyZPLNVIXKPUNPBN-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one (CID 167428093) is 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one is CC(C)C1CC2(CCCN2)C(=O)N1C.
What is the InChIKey of 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is ZPLNVIXKPUNPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)9-7-11(5-4-6-12-11)10(14)13(9)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one?
7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-propan-2-yl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 167428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).