5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

C12H20N4O2 — CID 63585207

IUPAC5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCN(C)C1CCN(Cc2cc(C(=O)NN)co2)C1
InChIInChI=1S/C12H20N4O2/c1-15(2)10-3-4-16(6-10)7-11-5-9(8-18-11)12(17)14-13/h5,8,10H,3-4,6-7,13H2,1-2H3,(H,14,17)
InChIKeyXBLIIYOXQXNFPZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.02
Rot. Bonds4

About 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (PubChem CID 63585207) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
PubChem CID63585207
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCN(C)C1CCN(Cc2cc(C(=O)NN)co2)C1
InChIInChI=1S/C12H20N4O2/c1-15(2)10-3-4-16(6-10)7-11-5-9(8-18-11)12(17)14-13/h5,8,10H,3-4,6-7,13H2,1-2H3,(H,14,17)
InChIKeyXBLIIYOXQXNFPZ-UHFFFAOYSA-N
XLogP0.02
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-3-carbohydrazide
CID 63584824
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 112626150
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (CID 63585207) is 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is CN(C)C1CCN(Cc2cc(C(=O)NN)co2)C1.
What is the InChIKey of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The InChIKey is XBLIIYOXQXNFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15(2)10-3-4-16(6-10)7-11-5-9(8-18-11)12(17)14-13/h5,8,10H,3-4,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide has a molecular weight of 252.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63585207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).