2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide

C16H23N3O2 — CID 128553649

IUPAC2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C#N)CC23CCCC3)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)19-8-5-12(13(19)20)18-14(21)16(10-17)9-15(16)6-3-4-7-15/h11-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyKBTUFWFOVRPBLF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds3

About 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide

2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide (PubChem CID 128553649) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide
PubChem CID128553649
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2(C#N)CC23CCCC3)C1=O
InChIInChI=1S/C16H23N3O2/c1-11(2)19-8-5-12(13(19)20)18-14(21)16(10-17)9-15(16)6-3-4-7-15/h11-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyKBTUFWFOVRPBLF-UHFFFAOYSA-N
XLogP1.59
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide (CID 128553649) is 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide is CC(C)N1CCC(NC(=O)C2(C#N)CC23CCCC3)C1=O.
What is the InChIKey of 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is KBTUFWFOVRPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19-8-5-12(13(19)20)18-14(21)16(10-17)9-15(16)6-3-4-7-15/h11-12H,3-9H2,1-2H3,(H,18,21).
What are the key properties of 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide?
2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 128553649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).