3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H11NO3 — CID 64834935

IUPAC3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C10H11NO3/c12-8(5-1-2-5)4-11-9(13)6-3-7(6)10(11)14/h5-7H,1-4H2
InChIKeyDUHMQDUYWSNXLL-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.03
Rot. Bonds3

About 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64834935) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64834935
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C10H11NO3/c12-8(5-1-2-5)4-11-9(13)6-3-7(6)10(11)14/h5-7H,1-4H2
InChIKeyDUHMQDUYWSNXLL-UHFFFAOYSA-N
XLogP-0.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513713
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
3-(2-cyclopentyl-2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104753293
4-(2-cyclopentyl-2-oxoethyl)morpholine-3,5-dione
CID 104751314
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanoic acid
CID 64835516
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
1-(2-cyclopropyl-2-oxoethyl)-4,6-difluoroindole-2,3-dione
CID 63915273
3-[(2E)-2-ethenylpenta-2,4-dienyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 144515975
3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 63762501
1-(2-cyclopropyl-2-oxoethyl)pyridin-4-one
CID 63914417
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64836246
2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55373623

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64834935) is 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C(CN1C(=O)C2CC2C1=O)C1CC1.
What is the InChIKey of 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DUHMQDUYWSNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8(5-1-2-5)4-11-9(13)6-3-7(6)10(11)14/h5-7H,1-4H2.
What are the key properties of 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 193.20 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64834935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).