2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 103951245

IUPAC2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2(C)CCCN2)CCO1
InChIInChI=1S/C12H22N2O2/c1-9-8-10(4-7-16-9)14-11(15)12(2)5-3-6-13-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNRERUYKHQVKYHS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds2

About 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide

2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 103951245) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID103951245
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2(C)CCCN2)CCO1
InChIInChI=1S/C12H22N2O2/c1-9-8-10(4-7-16-9)14-11(15)12(2)5-3-6-13-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNRERUYKHQVKYHS-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide (CID 103951245) is 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide is CC1CC(NC(=O)C2(C)CCCN2)CCO1.
What is the InChIKey of 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is NRERUYKHQVKYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-8-10(4-7-16-9)14-11(15)12(2)5-3-6-13-12/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).