2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile

C14H19N3O2 — CID 64836840

IUPAC2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C14H19N3O2/c1-8(2)16-14(6-15,9-3-4-9)7-17-12(18)10-5-11(10)13(17)19/h8-11,16H,3-5,7H2,1-2H3
InChIKeyLDZFPJRDKMXCIO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds5

About 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile (PubChem CID 64836840) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
PubChem CID64836840
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C14H19N3O2/c1-8(2)16-14(6-15,9-3-4-9)7-17-12(18)10-5-11(10)13(17)19/h8-11,16H,3-5,7H2,1-2H3
InChIKeyLDZFPJRDKMXCIO-UHFFFAOYSA-N
XLogP0.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile (CID 64836840) is 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN1C(=O)C2CC2C1=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is LDZFPJRDKMXCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)16-14(6-15,9-3-4-9)7-17-12(18)10-5-11(10)13(17)19/h8-11,16H,3-5,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 261.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 64836840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).