5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C11H17N3O3 — CID 63572070

IUPAC5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCC(O)C2)cc1C(=O)NN
InChIInChI=1S/C11H17N3O3/c1-7-10(11(16)13-12)4-9(17-7)6-14-3-2-8(15)5-14/h4,8,15H,2-3,5-6,12H2,1H3,(H,13,16)
InChIKeyOEGQECDYRCPCPO-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.24
Rot. Bonds3

About 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63572070) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63572070
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCC(O)C2)cc1C(=O)NN
InChIInChI=1S/C11H17N3O3/c1-7-10(11(16)13-12)4-9(17-7)6-14-3-2-8(15)5-14/h4,8,15H,2-3,5-6,12H2,1H3,(H,13,16)
InChIKeyOEGQECDYRCPCPO-UHFFFAOYSA-N
XLogP-0.24
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.24
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-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 55213855
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
5-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 112626173

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 63572070) is 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CN2CCC(O)C2)cc1C(=O)NN.
What is the InChIKey of 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is OEGQECDYRCPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-10(11(16)13-12)4-9(17-7)6-14-3-2-8(15)5-14/h4,8,15H,2-3,5-6,12H2,1H3,(H,13,16).
What are the key properties of 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 239.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63572070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).