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

C13H20N2O3 — CID 63104937

IUPAC[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CC(O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-3-14(4-2)9-11-5-6-12(18-11)13(17)15-7-10(16)8-15/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAJMZECICDOFOOP-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.94
Rot. Bonds5

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

[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63104937) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63104937
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CC(O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-3-14(4-2)9-11-5-6-12(18-11)13(17)15-7-10(16)8-15/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAJMZECICDOFOOP-UHFFFAOYSA-N
XLogP0.94
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(diethylaminomethyl)furan-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680421
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727088
[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-(diethylaminomethyl)furan-2-yl]-[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]methanone
CID 110220104
[6-hydroxy-4-(3-methylbut-2-enyl)-1,4-diazepan-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 74235668
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 5180717
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 63104937) is [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone is CCN(CC)Cc1ccc(C(=O)N2CC(O)C2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is AJMZECICDOFOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-14(4-2)9-11-5-6-12(18-11)13(17)15-7-10(16)8-15/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 252.31 g/mol, XLogP of 0.94, 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-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63104937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).