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

C11H17NO — CID 58605246

IUPAC1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CC=CC2)CN1C
InChIInChI=1S/C11H17NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h3-4,10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyNCZUMDBPNKFVLM-JTQLQIEISA-N
MW179.26 g/mol
LogP1.62
Rot. Bonds1

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

1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone (PubChem CID 58605246) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
PubChem CID58605246
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CC=CC2)CN1C
InChIInChI=1S/C11H17NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h3-4,10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyNCZUMDBPNKFVLM-JTQLQIEISA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
CID 134855694
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-Methyl-2,3,3a,4,5,7a-hexahydroindol-2-yl)ethanone
CID 18740776
1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
CID 18740795
1-[2-(2,2-dimethylpropanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]-2,2-dimethylpropan-1-one
CID 57581844
1-[2-(2,2-dimethylpropanoyl)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]-2,2-dimethylpropan-1-one
CID 57581922
1-(1-tert-butyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylpropan-1-one
CID 57624449
1-(1-tert-butyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylpropan-1-one
CID 57624492
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)-2,2-dimethylpropan-1-one
CID 58341311
1-(1-Tert-butyl-3-prop-2-enylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 58341336
1-[(2S)-1-methyl-4,4-bis(prop-2-enyl)pyrrolidin-2-yl]ethanone
CID 58605517
1-(1-Methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone
CID 58850045

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The IUPAC name of 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone (CID 58605246) is 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone is CC(=O)[C@@H]1CC2(CC=CC2)CN1C.
What is the InChIKey of 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
The InChIKey is NCZUMDBPNKFVLM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO/c1-9(13)10-7-11(8-12(10)2)5-3-4-6-11/h3-4,10H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone?
1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone is sourced from PubChem (CID 58605246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).