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

C12H17NO2 — CID 77314104

IUPAC1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone
SMILESCC(=O)C1CC2(CC=CC2)CN1C(C)=O
InChIInChI=1S/C12H17NO2/c1-9(14)11-7-12(5-3-4-6-12)8-13(11)10(2)15/h3-4,11H,5-8H2,1-2H3
InChIKeyNOFDQCPAJGBNNY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds1

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

1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone (PubChem CID 77314104) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone
PubChem CID77314104
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone
SMILESCC(=O)C1CC2(CC=CC2)CN1C(C)=O
InChIInChI=1S/C12H17NO2/c1-9(14)11-7-12(5-3-4-6-12)8-13(11)10(2)15/h3-4,11H,5-8H2,1-2H3
InChIKeyNOFDQCPAJGBNNY-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
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

2-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-3-en-1-one
CID 86010835
1-[2-[(E)-pent-3-enoyl]pyrrolidin-1-yl]propane-1,2-dione
CID 20647194
3,3-Dimethyl-1-(2-pent-4-enoylpyrrolidinyl)pentane-1,2-dione
CID 22257788
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
(2S)-1-[(2S,4S)-2-acetyl-4-methylpyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 58215025
1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 58605246
(5S)-5-acetyl-1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 58605319
1-[(2S)-1-methyl-4,4-bis(prop-2-enyl)pyrrolidin-2-yl]ethanone
CID 58605517
Tert-butyl 2-acetyl-4,4-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 58705416
(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde
CID 58807919
tert-butyl (2S)-2-acetyl-4,4-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 58908543

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone?
The IUPAC name of 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone (CID 77314104) is 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone is CC(=O)C1CC2(CC=CC2)CN1C(C)=O.
What is the InChIKey of 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone?
The InChIKey is NOFDQCPAJGBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)11-7-12(5-3-4-6-12)8-13(11)10(2)15/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone?
1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-2-azaspiro[4.4]non-7-en-3-yl)ethanone is sourced from PubChem (CID 77314104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).