[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C15H24N2O3 — CID 103727088

IUPAC[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(C)(O)C2)o1
InChIInChI=1S/C15H24N2O3/c1-4-16(5-2)10-12-6-7-13(20-12)14(18)17-9-8-15(3,19)11-17/h6-7,19H,4-5,8-11H2,1-3H3
InChIKeyGTQBVKNWCSNZAC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.72
Rot. Bonds5

About [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103727088) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103727088
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCC(C)(O)C2)o1
InChIInChI=1S/C15H24N2O3/c1-4-16(5-2)10-12-6-7-13(20-12)14(18)17-9-8-15(3,19)11-17/h6-7,19H,4-5,8-11H2,1-3H3
InChIKeyGTQBVKNWCSNZAC-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
[5-(diethylaminomethyl)furan-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680421
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447
[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71896158
[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 139006638
[5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3610245
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
[5-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220104
4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098082
ethyl 4-[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3376338
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 72870589

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103727088) is [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CCN(CC)Cc1ccc(C(=O)N2CCC(C)(O)C2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is GTQBVKNWCSNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-16(5-2)10-12-6-7-13(20-12)14(18)17-9-8-15(3,19)11-17/h6-7,19H,4-5,8-11H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103727088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).