2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one

C16H25NO2 — CID 144882861

IUPAC2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(C)=O)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C16H25NO2/c1-4-14(12(2)13(3)18)17-11-10-16(15(17)19)8-6-5-7-9-16/h4-11H2,1-3H3/b14-12+
InChIKeyBYLVLZGOCSCIBZ-WYMLVPIESA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds3

About 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one

2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 144882861) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID144882861
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCC/C(=C(/C)C(C)=O)N1CCC2(CCCCC2)C1=O
InChIInChI=1S/C16H25NO2/c1-4-14(12(2)13(3)18)17-11-10-16(15(17)19)8-6-5-7-9-16/h4-11H2,1-3H3/b14-12+
InChIKeyBYLVLZGOCSCIBZ-WYMLVPIESA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 12769005
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CID 613184
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CID 23402591
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CID 23552343
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CID 23552346
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1,3a,7-Trimethyl-3,4,5,6-tetrahydroindol-2-one
CID 57884028
8-Amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234323
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one (CID 144882861) is 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one is CC/C(=C(/C)C(C)=O)N1CCC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is BYLVLZGOCSCIBZ-WYMLVPIESA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14(12(2)13(3)18)17-11-10-16(15(17)19)8-6-5-7-9-16/h4-11H2,1-3H3/b14-12+.
What are the key properties of 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one?
2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methyl-5-oxohex-3-en-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).