3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one

C13H21NO — CID 90296071

IUPAC3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESC=C1CC2(CCC(C(C)C)CC2)C(=O)N1
InChIInChI=1S/C13H21NO/c1-9(2)11-4-6-13(7-5-11)8-10(3)14-12(13)15/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyVHFZGNBZUVBRJP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.85
Rot. Bonds1

About 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one

3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 90296071) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID90296071
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESC=C1CC2(CCC(C(C)C)CC2)C(=O)N1
InChIInChI=1S/C13H21NO/c1-9(2)11-4-6-13(7-5-11)8-10(3)14-12(13)15/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyVHFZGNBZUVBRJP-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one (CID 90296071) is 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one is C=C1CC2(CCC(C(C)C)CC2)C(=O)N1.
What is the InChIKey of 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is VHFZGNBZUVBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)11-4-6-13(7-5-11)8-10(3)14-12(13)15/h9,11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one?
3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 90296071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).