1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone

C10H15NO — CID 70335849

IUPAC1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CC=CC2)CN1
InChIInChI=1S/C10H15NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h2-3,9,11H,4-7H2,1H3/t9-/m0/s1
InChIKeyLHTRFTXYXGJKOZ-VIFPVBQESA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds1

About 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone

1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone (PubChem CID 70335849) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone
PubChem CID70335849
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CC=CC2)CN1
InChIInChI=1S/C10H15NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h2-3,9,11H,4-7H2,1H3/t9-/m0/s1
InChIKeyLHTRFTXYXGJKOZ-VIFPVBQESA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The IUPAC name of 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone (CID 70335849) is 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone is CC(=O)[C@@H]1CC2(CC=CC2)CN1.
What is the InChIKey of 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The InChIKey is LHTRFTXYXGJKOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-8(12)9-6-10(7-11-9)4-2-3-5-10/h2-3,9,11H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone is sourced from PubChem (CID 70335849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).