[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone

C15H24N2O3 — CID 133138412

IUPAC[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@H]1N(C)C
InChIInChI=1S/C15H24N2O3/c1-4-5-11-8-17(9-13(11)16(2)3)15(19)14-7-6-12(10-18)20-14/h6-7,11,13,18H,4-5,8-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyYUDNTBAMIDGMLQ-DGCLKSJQSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone

[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone (PubChem CID 133138412) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
PubChem CID133138412
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@H]1N(C)C
InChIInChI=1S/C15H24N2O3/c1-4-5-11-8-17(9-13(11)16(2)3)15(19)14-7-6-12(10-18)20-14/h6-7,11,13,18H,4-5,8-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyYUDNTBAMIDGMLQ-DGCLKSJQSA-N
XLogP1.57
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone (CID 133138412) is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone is CCC[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The InChIKey is YUDNTBAMIDGMLQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-11-8-17(9-13(11)16(2)3)15(19)14-7-6-12(10-18)20-14/h6-7,11,13,18H,4-5,8-10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 133138412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).