1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one

C13H24N2O — CID 11816962

IUPAC1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
SMILESCN1CCC[C@@H]1CC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyZEBIACKKLGVLFZ-VXGBXAGGSA-N
MW224.35 g/mol
LogP1.52
Rot. Bonds4

About 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one

1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one (PubChem CID 11816962) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
PubChem CID11816962
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
SMILESCN1CCC[C@@H]1CC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyZEBIACKKLGVLFZ-VXGBXAGGSA-N
XLogP1.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one (CID 11816962) is 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one is CN1CCC[C@@H]1CC(=O)C[C@H]1CCCN1C.
What is the InChIKey of 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The InChIKey is ZEBIACKKLGVLFZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 11816962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).