(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

C13H24N2O2 — CID 112703596

IUPAC(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(C(C)C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)10-4-5-15(8-10)13(16)12-6-11(17-3)7-14-12/h9-12,14H,4-8H2,1-3H3
InChIKeyFWRAIFGSHCWQFT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 112703596) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID112703596
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(C(C)C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)10-4-5-15(8-10)13(16)12-6-11(17-3)7-14-12/h9-12,14H,4-8H2,1-3H3
InChIKeyFWRAIFGSHCWQFT-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 112703596) is (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is COC1CNC(C(=O)N2CCC(C(C)C)C2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is FWRAIFGSHCWQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)10-4-5-15(8-10)13(16)12-6-11(17-3)7-14-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).