5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

C11H17N3O3 — CID 63584588

IUPAC5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCCC2CO)c1
InChIInChI=1S/C11H17N3O3/c12-13-11(16)8-4-10(17-7-8)5-14-3-1-2-9(14)6-15/h4,7,9,15H,1-3,5-6,12H2,(H,13,16)
InChIKeyRMHWYMUHCRCBQK-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds4

About 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide

5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (PubChem CID 63584588) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
PubChem CID63584588
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCCC2CO)c1
InChIInChI=1S/C11H17N3O3/c12-13-11(16)8-4-10(17-7-8)5-14-3-1-2-9(14)6-15/h4,7,9,15H,1-3,5-6,12H2,(H,13,16)
InChIKeyRMHWYMUHCRCBQK-UHFFFAOYSA-N
XLogP-0.16
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63582953
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
CID 55215056
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (CID 63584588) is 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is NNC(=O)c1coc(CN2CCCC2CO)c1.
What is the InChIKey of 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The InChIKey is RMHWYMUHCRCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-13-11(16)8-4-10(17-7-8)5-14-3-1-2-9(14)6-15/h4,7,9,15H,1-3,5-6,12H2,(H,13,16).
What are the key properties of 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide has a molecular weight of 239.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63584588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).