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

C11H20N2O — CID 154959785

IUPAC7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)N1CCC2(CCN(C)C2)C1=O
InChIInChI=1S/C11H20N2O/c1-9(2)13-7-5-11(10(13)14)4-6-12(3)8-11/h9H,4-8H2,1-3H3
InChIKeyXNHZBWYULKZNLO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

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

7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 154959785) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID154959785
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)N1CCC2(CCN(C)C2)C1=O
InChIInChI=1S/C11H20N2O/c1-9(2)13-7-5-11(10(13)14)4-6-12(3)8-11/h9H,4-8H2,1-3H3
InChIKeyXNHZBWYULKZNLO-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 154959785) is 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one is CC(C)N1CCC2(CCN(C)C2)C1=O.
What is the InChIKey of 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is XNHZBWYULKZNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)13-7-5-11(10(13)14)4-6-12(3)8-11/h9H,4-8H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 154959785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).