N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide

C12H22N2O3 — CID 102780031

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOC1(CNC(=O)C2NCCC2C)CCOC1
InChIInChI=1S/C12H22N2O3/c1-9-3-5-13-10(9)11(15)14-7-12(16-2)4-6-17-8-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyWXNWMIJUPPUENY-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.09
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide

N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102780031) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102780031
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOC1(CNC(=O)C2NCCC2C)CCOC1
InChIInChI=1S/C12H22N2O3/c1-9-3-5-13-10(9)11(15)14-7-12(16-2)4-6-17-8-12/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyWXNWMIJUPPUENY-UHFFFAOYSA-N
XLogP-0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide (CID 102780031) is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide is COC1(CNC(=O)C2NCCC2C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is WXNWMIJUPPUENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-3-5-13-10(9)11(15)14-7-12(16-2)4-6-17-8-12/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102780031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).