N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 53410896

IUPACN-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCN1
InChIInChI=1S/C12H22N2O2/c1-14(9-10-4-7-16-8-5-10)12(15)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeyZYIUMIQAGDJDSJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 53410896) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID53410896
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCCN1
InChIInChI=1S/C12H22N2O2/c1-14(9-10-4-7-16-8-5-10)12(15)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeyZYIUMIQAGDJDSJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 53410896) is N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is CN(CC1CCOCC1)C(=O)C1CCCN1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZYIUMIQAGDJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(9-10-4-7-16-8-5-10)12(15)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 53410896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).