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

C12H19N3O3 — CID 112629365

IUPAC2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCC(O)C1CCN(Cc2occc2C(=O)NN)C1
InChIInChI=1S/C12H19N3O3/c1-8(16)9-2-4-15(6-9)7-11-10(3-5-18-11)12(17)14-13/h3,5,8-9,16H,2,4,6-7,13H2,1H3,(H,14,17)
InChIKeyJOOZMNBYFLLNMZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.09
Rot. Bonds4

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

2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (PubChem CID 112629365) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
PubChem CID112629365
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
SMILESCC(O)C1CCN(Cc2occc2C(=O)NN)C1
InChIInChI=1S/C12H19N3O3/c1-8(16)9-2-4-15(6-9)7-11-10(3-5-18-11)12(17)14-13/h3,5,8-9,16H,2,4,6-7,13H2,1H3,(H,14,17)
InChIKeyJOOZMNBYFLLNMZ-UHFFFAOYSA-N
XLogP0.09
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.09
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

2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 63583097
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55167904
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide (CID 112629365) is 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is CC(O)C1CCN(Cc2occc2C(=O)NN)C1.
What is the InChIKey of 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
The InChIKey is JOOZMNBYFLLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(16)9-2-4-15(6-9)7-11-10(3-5-18-11)12(17)14-13/h3,5,8-9,16H,2,4,6-7,13H2,1H3,(H,14,17).
What are the key properties of 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide?
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide has a molecular weight of 253.30 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 112629365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).