2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one

C16H23NO — CID 135212514

IUPAC2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1CCC(N2CCC3(CCCCC3)C2=O)=C1C
InChIInChI=1S/C16H23NO/c1-12-6-7-14(13(12)2)17-11-10-16(15(17)18)8-4-3-5-9-16/h1,3-11H2,2H3
InChIKeyYDZWSIHKYKKNOS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one

2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 135212514) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID135212514
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESC=C1CCC(N2CCC3(CCCCC3)C2=O)=C1C
InChIInChI=1S/C16H23NO/c1-12-6-7-14(13(12)2)17-11-10-16(15(17)18)8-4-3-5-9-16/h1,3-11H2,2H3
InChIKeyYDZWSIHKYKKNOS-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67135885
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one (CID 135212514) is 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one is C=C1CCC(N2CCC3(CCCCC3)C2=O)=C1C.
What is the InChIKey of 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YDZWSIHKYKKNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-14(13(12)2)17-11-10-16(15(17)18)8-4-3-5-9-16/h1,3-11H2,2H3.
What are the key properties of 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one?
2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 135212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).