5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride

C13H16ClN3O2 — CID 21298870

IUPAC5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15N3O2.ClH/c14-11(15)7-3-4-8-16-12(17)9-5-1-2-6-10(9)13(16)18;/h1-2,5-6H,3-4,7-8H2,(H3,14,15);1H
InChIKeySOOWZHNKSJXYOY-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.81
Rot. Bonds5

About 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride

5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride (PubChem CID 21298870) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride
PubChem CID21298870
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15N3O2.ClH/c14-11(15)7-3-4-8-16-12(17)9-5-1-2-6-10(9)13(16)18;/h1-2,5-6H,3-4,7-8H2,(H3,14,15);1H
InChIKeySOOWZHNKSJXYOY-UHFFFAOYSA-N
XLogP1.81
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
2-(6,6-dimethyl-5,7-dioxononyl)isoindole-1,3-dione
CID 167549198
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
methylsulfanylmethyl 6-(1,3-dioxoisoindol-2-yl)hexanoate
CID 10829605

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride (CID 21298870) is 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride?
The InChIKey is SOOWZHNKSJXYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c14-11(15)7-3-4-8-16-12(17)9-5-1-2-6-10(9)13(16)18;/h1-2,5-6H,3-4,7-8H2,(H3,14,15);1H.
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride?
5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride is sourced from PubChem (CID 21298870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).