2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide

C15H20N2O2 — CID 47425508

IUPAC2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide
SMILESN#CC(C(=O)CC(C1CC1)C1CC1)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O2/c16-8-13(15(19)17-11-5-6-11)14(18)7-12(9-1-2-9)10-3-4-10/h9-13H,1-7H2,(H,17,19)
InChIKeyMRXLOVVSNYZKIV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds7

About 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide

2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide (PubChem CID 47425508) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide.

Molecular Properties

Compound Name2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide
PubChem CID47425508
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide
SMILESN#CC(C(=O)CC(C1CC1)C1CC1)C(=O)NC1CC1
InChIInChI=1S/C15H20N2O2/c16-8-13(15(19)17-11-5-6-11)14(18)7-12(9-1-2-9)10-3-4-10/h9-13H,1-7H2,(H,17,19)
InChIKeyMRXLOVVSNYZKIV-UHFFFAOYSA-N
XLogP1.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide?
The IUPAC name of 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide (CID 47425508) is 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide.
What is the SMILES notation for 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide?
The canonical SMILES for 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide is N#CC(C(=O)CC(C1CC1)C1CC1)C(=O)NC1CC1.
What is the InChIKey of 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide?
The InChIKey is MRXLOVVSNYZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-13(15(19)17-11-5-6-11)14(18)7-12(9-1-2-9)10-3-4-10/h9-13H,1-7H2,(H,17,19).
What are the key properties of 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide?
2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide has a molecular weight of 260.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,5,5-tricyclopropyl-3-oxopentanamide is sourced from PubChem (CID 47425508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).