hexanehydrazide;pyrrole-2,5-dione

C10H17N3O3 — CID 175186516

IUPAChexanehydrazide;pyrrole-2,5-dione
SMILESCCCCCC(=O)NN.O=C1C=CC(=O)N1
InChIInChI=1S/C6H14N2O.C4H3NO2/c1-2-3-4-5-6(9)8-7;6-3-1-2-4(7)5-3/h2-5,7H2,1H3,(H,8,9);1-2H,(H,5,6,7)
InChIKeyFQTFVFMOGUBIRZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.24
Rot. Bonds4

About hexanehydrazide;pyrrole-2,5-dione

hexanehydrazide;pyrrole-2,5-dione (PubChem CID 175186516) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is hexanehydrazide;pyrrole-2,5-dione.

Molecular Properties

Compound Namehexanehydrazide;pyrrole-2,5-dione
PubChem CID175186516
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namehexanehydrazide;pyrrole-2,5-dione
SMILESCCCCCC(=O)NN.O=C1C=CC(=O)N1
InChIInChI=1S/C6H14N2O.C4H3NO2/c1-2-3-4-5-6(9)8-7;6-3-1-2-4(7)5-3/h2-5,7H2,1H3,(H,8,9);1-2H,(H,5,6,7)
InChIKeyFQTFVFMOGUBIRZ-UHFFFAOYSA-N
XLogP-0.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl hexanoate;pyrrole-2,5-dione
CID 174421276
heptane;pyrrole-2,5-dione
CID 159979894
2-(hexanoylamino)-3-methylbutanoic acid;pyrrole-2,5-dione
CID 174776333
(E)-octadec-9-enehydrazide
CID 6281873
nonadeca-8,12-dienehydrazide
CID 150104072
hexanehydrazide;2,2,2-trifluoroacetic acid
CID 161488585
11-octadecylsulfanylundecanehydrazide
CID 18183822
8-(5-formyl-2,3-dioctoxyphenoxy)octanehydrazide
CID 173199656
hexanedihydrazide;pentanedihydrazide
CID 157195533
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
4-pentylsulfanylbutanehydrazide
CID 107760917
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941

Frequently Asked Questions

What is the IUPAC name of hexanehydrazide;pyrrole-2,5-dione?
The IUPAC name of hexanehydrazide;pyrrole-2,5-dione (CID 175186516) is hexanehydrazide;pyrrole-2,5-dione.
What is the SMILES notation for hexanehydrazide;pyrrole-2,5-dione?
The canonical SMILES for hexanehydrazide;pyrrole-2,5-dione is CCCCCC(=O)NN.O=C1C=CC(=O)N1.
What is the InChIKey of hexanehydrazide;pyrrole-2,5-dione?
The InChIKey is FQTFVFMOGUBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C4H3NO2/c1-2-3-4-5-6(9)8-7;6-3-1-2-4(7)5-3/h2-5,7H2,1H3,(H,8,9);1-2H,(H,5,6,7).
What are the key properties of hexanehydrazide;pyrrole-2,5-dione?
hexanehydrazide;pyrrole-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanehydrazide;pyrrole-2,5-dione is sourced from PubChem (CID 175186516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).