4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide

C10H20N2O2 — CID 82724672

IUPAC4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NOC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)9(13)12-14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyCUURMNMOGXRDDO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.69
Rot. Bonds2

About 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide

4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide (PubChem CID 82724672) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
PubChem CID82724672
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NOC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)9(13)12-14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyCUURMNMOGXRDDO-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide (CID 82724672) is 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NOC(C)(C)C.
What is the InChIKey of 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide?
The InChIKey is CUURMNMOGXRDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)9(13)12-14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide?
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide is sourced from PubChem (CID 82724672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).