1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C13H22N2O2 — CID 3660064

IUPAC1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-14-13(17)10-8-12(16)15(9-10)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyPYVVAGSJVMIZIE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds2

About 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3660064) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3660064
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C13H22N2O2/c1-14-13(17)10-8-12(16)15(9-10)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyPYVVAGSJVMIZIE-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 3660064) is 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PYVVAGSJVMIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-13(17)10-8-12(16)15(9-10)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3660064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).