N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide

C12H16N2O3 — CID 2545942

IUPACN'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C12H16N2O3/c1-8-10(6-7-17-8)12(16)14-13-11(15)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPUMMTXSQJCWDBZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.54
Rot. Bonds2

About N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide

N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide (PubChem CID 2545942) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide
PubChem CID2545942
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C12H16N2O3/c1-8-10(6-7-17-8)12(16)14-13-11(15)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPUMMTXSQJCWDBZ-UHFFFAOYSA-N
XLogP1.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide (CID 2545942) is N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)C1CCCC1.
What is the InChIKey of N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is PUMMTXSQJCWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-10(6-7-17-8)12(16)14-13-11(15)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide?
N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 236.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentanecarbonyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 2545942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).