5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid

C11H14N2O5 — CID 5103163

IUPAC5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
SMILESCc1occc1C(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C11H14N2O5/c1-7-8(5-6-18-7)11(17)13-12-9(14)3-2-4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyNPIHYZWBPGVEEW-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.60
Rot. Bonds5

About 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid

5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 5103163) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID5103163
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
SMILESCc1occc1C(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C11H14N2O5/c1-7-8(5-6-18-7)11(17)13-12-9(14)3-2-4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyNPIHYZWBPGVEEW-UHFFFAOYSA-N
XLogP0.60
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
CID 34756674
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
1-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 34027065
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
N'-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9326561
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid (CID 5103163) is 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid is Cc1occc1C(=O)NNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is NPIHYZWBPGVEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7-8(5-6-18-7)11(17)13-12-9(14)3-2-4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid?
5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 5103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).