3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H20N2O2 — CID 104747843

IUPAC3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(CN1C(=O)C2CC2C1=O)C1CCCC1
InChIInChI=1S/C13H20N2O2/c1-14-11(8-4-2-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11,14H,2-7H2,1H3
InChIKeyOFWNPXABNDAHTB-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.77
Rot. Bonds4

About 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 104747843) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID104747843
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(CN1C(=O)C2CC2C1=O)C1CCCC1
InChIInChI=1S/C13H20N2O2/c1-14-11(8-4-2-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11,14H,2-7H2,1H3
InChIKeyOFWNPXABNDAHTB-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836044
1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
3-(2-cyclopentyl-2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104753293
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 113448482
3-[2-(methylamino)pentyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836040
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 63762501
methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate
CID 64829837
1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
CID 104747242
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 104747843) is 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is CNC(CN1C(=O)C2CC2C1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is OFWNPXABNDAHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-11(8-4-2-3-5-8)7-15-12(16)9-6-10(9)13(15)17/h8-11,14H,2-7H2,1H3.
What are the key properties of 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 104747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).