[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate

C11H18N2O6 — CID 87995385

IUPAC[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate
SMILESO=COCCCCC(=O)NNC(=O)CCCOC=O
InChIInChI=1S/C11H18N2O6/c14-8-18-6-2-1-4-10(16)12-13-11(17)5-3-7-19-9-15/h8-9H,1-7H2,(H,12,16)(H,13,17)
InChIKeyHCYANIMOWPLQHA-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.57
Rot. Bonds11

About [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate

[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate (PubChem CID 87995385) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate.

Molecular Properties

Compound Name[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate
PubChem CID87995385
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate
SMILESO=COCCCCC(=O)NNC(=O)CCCOC=O
InChIInChI=1S/C11H18N2O6/c14-8-18-6-2-1-4-10(16)12-13-11(17)5-3-7-19-9-15/h8-9H,1-7H2,(H,12,16)(H,13,17)
InChIKeyHCYANIMOWPLQHA-UHFFFAOYSA-N
XLogP-0.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-formyloxyoctanoic acid
CID 123773402
6-formyloxyhexanoic acid
CID 15269375
(4-amino-4-oxobutyl) formate
CID 22928633
methyl 4-formyloxybutanoate
CID 88643911
butyl 6-formyloxyhexanoate
CID 57230567
2,2,2-trichloroethyl 6-formyloxyhexanoate
CID 10946245
(11-formyloxy-7-methyl-6-oxoundecyl) formate
CID 170087712
5-formyloxypentyl acetate
CID 87520008
(7-oxo-7-phenylheptyl) formate
CID 87851499
4-[5-(3-formyloxypropoxymethoxy)pentanoyloxy]butanoic acid
CID 59035262
4-aminobutyl formate
CID 54484676
[3-(butylamino)-3-oxopropyl] formate
CID 57094792

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate?
The IUPAC name of [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate (CID 87995385) is [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate.
What is the SMILES notation for [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate?
The canonical SMILES for [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate is O=COCCCCC(=O)NNC(=O)CCCOC=O.
What is the InChIKey of [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate?
The InChIKey is HCYANIMOWPLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-8-18-6-2-1-4-10(16)12-13-11(17)5-3-7-19-9-15/h8-9H,1-7H2,(H,12,16)(H,13,17).
What are the key properties of [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate?
[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate has a molecular weight of 274.27 g/mol, XLogP of -0.57, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate is sourced from PubChem (CID 87995385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).