5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide

C13H20N2O3 — CID 66322936

IUPAC5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COCC2CCCC2)cc1C(=O)NN
InChIInChI=1S/C13H20N2O3/c1-9-12(13(16)15-14)6-11(18-9)8-17-7-10-4-2-3-5-10/h6,10H,2-5,7-8,14H2,1H3,(H,15,16)
InChIKeyIUHGJKPAJNKSPF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.90
Rot. Bonds5

About 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide

5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide (PubChem CID 66322936) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
PubChem CID66322936
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COCC2CCCC2)cc1C(=O)NN
InChIInChI=1S/C13H20N2O3/c1-9-12(13(16)15-14)6-11(18-9)8-17-7-10-4-2-3-5-10/h6,10H,2-5,7-8,14H2,1H3,(H,15,16)
InChIKeyIUHGJKPAJNKSPF-UHFFFAOYSA-N
XLogP1.90
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82791894
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 107402375
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
2-(cyclohexylmethoxymethyl)furan-3-carbohydrazide
CID 63569313
2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
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-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 55213855
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide (CID 66322936) is 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide is Cc1oc(COCC2CCCC2)cc1C(=O)NN.
What is the InChIKey of 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is IUHGJKPAJNKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-12(13(16)15-14)6-11(18-9)8-17-7-10-4-2-3-5-10/h6,10H,2-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide?
5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethoxymethyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 66322936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).