2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C14H19N3O2 — CID 79572116

IUPAC2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1C(=O)C2CC2C1=O
InChIInChI=1S/C14H19N3O2/c1-16-14(8-15)5-2-3-9(14)4-6-17-12(18)10-7-11(10)13(17)19/h9-11,16H,2-7H2,1H3
InChIKeyVAJMUGYCVCZSON-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79572116) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79572116
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCN1C(=O)C2CC2C1=O
InChIInChI=1S/C14H19N3O2/c1-16-14(8-15)5-2-3-9(14)4-6-17-12(18)10-7-11(10)13(17)19/h9-11,16H,2-7H2,1H3
InChIKeyVAJMUGYCVCZSON-UHFFFAOYSA-N
XLogP0.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79572116) is 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCN1C(=O)C2CC2C1=O.
What is the InChIKey of 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is VAJMUGYCVCZSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-14(8-15)5-2-3-9(14)4-6-17-12(18)10-7-11(10)13(17)19/h9-11,16H,2-7H2,1H3.
What are the key properties of 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).