5-(1,3-dioxoisoindol-2-yl)pentanehydrazide

C13H15N3O3 — CID 63572994

IUPAC5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15N3O3/c14-15-11(17)7-3-4-8-16-12(18)9-5-1-2-6-10(9)13(16)19/h1-2,5-6H,3-4,7-8,14H2,(H,15,17)
InChIKeyHZVQEDSZCKYTAB-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.44
Rot. Bonds5

About 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide

5-(1,3-dioxoisoindol-2-yl)pentanehydrazide (PubChem CID 63572994) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
PubChem CID63572994
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
SMILESNNC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15N3O3/c14-15-11(17)7-3-4-8-16-12(18)9-5-1-2-6-10(9)13(16)19/h1-2,5-6H,3-4,7-8,14H2,(H,15,17)
InChIKeyHZVQEDSZCKYTAB-UHFFFAOYSA-N
XLogP0.44
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
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

5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
CID 63578287
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide (CID 63572994) is 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide is NNC(=O)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide?
The InChIKey is HZVQEDSZCKYTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-15-11(17)7-3-4-8-16-12(18)9-5-1-2-6-10(9)13(16)19/h1-2,5-6H,3-4,7-8,14H2,(H,15,17).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide?
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)pentanehydrazide is sourced from PubChem (CID 63572994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).