3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione

C11H17NO2 — CID 121221286

IUPAC3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCCCCCN1C(=O)C2CCC2C1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-7-12-10(13)8-5-6-9(8)11(12)14/h8-9H,2-7H2,1H3
InChIKeyFQBQSOHVXAECSL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.57
Rot. Bonds4

About 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione

3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione (PubChem CID 121221286) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Name3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
PubChem CID121221286
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCCCCCN1C(=O)C2CCC2C1=O
InChIInChI=1S/C11H17NO2/c1-2-3-4-7-12-10(13)8-5-6-9(8)11(12)14/h8-9H,2-7H2,1H3
InChIKeyFQBQSOHVXAECSL-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 12501460
(1R,5S)-3,6,6,7,7-pentamethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 164670624
1-Ethyl-3-propylpyrrolidine-2,5-dione
CID 12122750
3-Ethyl-1-hexylpyrrolidine-2,5-dione
CID 18714795
1,3-Dimethyl-4-(2-methylpropyl)pyrrolidine-2,5-dione
CID 18730509
1,1-Dimethyl-3-propylpyrrolidin-1-ium-2,5-dione
CID 19855628
3-Butan-2-yl-1-methylpyrrolidine-2,5-dione
CID 21344044
3-Ethyl-3-azabicyclo[3.2.0]heptan-2-one
CID 54039144
1,3-Di(pentan-3-yl)pyrrolidine-2,5-dione
CID 58391139
1-(2-Methylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58621862
3-Propan-2-yl-1-propylpyrrolidine-2,5-dione
CID 59360314
1-Methyl-3,4-di(propan-2-yl)pyrrolidine-2,5-dione
CID 59777083

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione (CID 121221286) is 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione is CCCCCN1C(=O)C2CCC2C1=O.
What is the InChIKey of 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is FQBQSOHVXAECSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-7-12-10(13)8-5-6-9(8)11(12)14/h8-9H,2-7H2,1H3.
What are the key properties of 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 121221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).