1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone

C14H17NO — CID 5461761

IUPAC1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCC(=O)N1CC2(CC2)CC1c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(16)15-10-14(7-8-14)9-13(15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyHZBDOUQXXHFSFS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.76
Rot. Bonds1

About 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone

1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone (PubChem CID 5461761) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone
PubChem CID5461761
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCC(=O)N1CC2(CC2)CC1c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(16)15-10-14(7-8-14)9-13(15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyHZBDOUQXXHFSFS-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The IUPAC name of 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone (CID 5461761) is 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone.
What is the SMILES notation for 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The canonical SMILES for 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone is CC(=O)N1CC2(CC2)CC1c1ccccc1.
What is the InChIKey of 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The InChIKey is HZBDOUQXXHFSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(16)15-10-14(7-8-14)9-13(15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-5-azaspiro[2.4]heptan-5-yl)ethanone is sourced from PubChem (CID 5461761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).