1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C17H28N2O3 — CID 3241478

IUPAC1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-16-10-13(17(21)18-11-15-8-5-9-22-15)12-19(16)14-6-3-1-2-4-7-14/h13-15H,1-12H2,(H,18,21)
InChIKeyOHHIWAFPLYEMDV-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.85
Rot. Bonds4

About 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 3241478) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID3241478
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-16-10-13(17(21)18-11-15-8-5-9-22-15)12-19(16)14-6-3-1-2-4-7-14/h13-15H,1-12H2,(H,18,21)
InChIKeyOHHIWAFPLYEMDV-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 3241478) is 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is OHHIWAFPLYEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16-10-13(17(21)18-11-15-8-5-9-22-15)12-19(16)14-6-3-1-2-4-7-14/h13-15H,1-12H2,(H,18,21).
What are the key properties of 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3241478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).