N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide

C11H11N3O3 — CID 101125437

IUPACN-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide
SMILESO=NNCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11N3O3/c15-10-8-4-1-2-5-9(8)11(16)14(10)7-3-6-12-13-17/h1-2,4-5H,3,6-7H2,(H,12,17)
InChIKeyPDEYLBYWYNYXMX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.94
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide

N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide (PubChem CID 101125437) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide
PubChem CID101125437
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide
SMILESO=NNCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11N3O3/c15-10-8-4-1-2-5-9(8)11(16)14(10)7-3-6-12-13-17/h1-2,4-5H,3,6-7H2,(H,12,17)
InChIKeyPDEYLBYWYNYXMX-UHFFFAOYSA-N
XLogP0.94
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
CID 88976080
CID 88976080
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide (CID 101125437) is N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide is O=NNCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide?
The InChIKey is PDEYLBYWYNYXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-8-4-1-2-5-9(8)11(16)14(10)7-3-6-12-13-17/h1-2,4-5H,3,6-7H2,(H,12,17).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide?
N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide has a molecular weight of 233.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)propyl]nitrous amide is sourced from PubChem (CID 101125437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).