N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C14H24N2O2 — CID 5083158

IUPACN-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-12(8-9-13(16)17)14(18)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyAHIFSRFTOVIQOX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds3

About N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 5083158) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID5083158
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-12(8-9-13(16)17)14(18)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyAHIFSRFTOVIQOX-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 5083158) is N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is AHIFSRFTOVIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-12(8-9-13(16)17)14(18)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5083158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).