(3-aminoisoindol-1-ylidene)azanium

C8H8N3+ — CID 40544635

IUPAC(3-aminoisoindol-1-ylidene)azanium
SMILESNC1=NC(=[NH2+])c2ccccc21
InChIInChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)/p+1
InChIKeyRZVCEPSDYHAHLX-UHFFFAOYSA-O
MW146.17 g/mol
LogP-1.09
Rot. Bonds

About (3-aminoisoindol-1-ylidene)azanium

(3-aminoisoindol-1-ylidene)azanium (PubChem CID 40544635) has the molecular formula C8H8N3+ and a molecular weight of 146.17 g/mol. Its IUPAC name is (3-aminoisoindol-1-ylidene)azanium.

Molecular Properties

Compound Name(3-aminoisoindol-1-ylidene)azanium
PubChem CID40544635
Molecular FormulaC8H8N3+
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Name(3-aminoisoindol-1-ylidene)azanium
SMILESNC1=NC(=[NH2+])c2ccccc21
InChIInChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)/p+1
InChIKeyRZVCEPSDYHAHLX-UHFFFAOYSA-O
XLogP-1.09
TPSA63.97 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-aminoisoindole-1-thione
CID 14142925
3-iminoisoindol-1-amine
CID 139180243
3-[3-[(3-aminoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-amine
CID 13090123
1,2,3-benzoxathiazin-4-amine
CID 67159512
3-(2-methoxyphenyl)iminoisoindol-1-amine
CID 2312220
3-(3-chlorophenyl)iminoisoindol-1-amine
CID 705547
CID 5382536
CID 5382536
chloro acetate;3-iminoisoindol-1-amine
CID 174364510
4-ethoxy-4-oxobutanoic acid;3-iminoisoindol-1-amine
CID 70196856
4,6-bis[(3-aminoisoindol-1-ylidene)amino]benzene-1,3-diol;bis(pyridine)
CID 139175982
3-(2-methylquinolin-8-yl)iminoisoindol-1-amine
CID 19154475
biphenylene;hydron
CID 173077542

Frequently Asked Questions

What is the IUPAC name of (3-aminoisoindol-1-ylidene)azanium?
The IUPAC name of (3-aminoisoindol-1-ylidene)azanium (CID 40544635) is (3-aminoisoindol-1-ylidene)azanium.
What is the SMILES notation for (3-aminoisoindol-1-ylidene)azanium?
The canonical SMILES for (3-aminoisoindol-1-ylidene)azanium is NC1=NC(=[NH2+])c2ccccc21.
What is the InChIKey of (3-aminoisoindol-1-ylidene)azanium?
The InChIKey is RZVCEPSDYHAHLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)/p+1.
What are the key properties of (3-aminoisoindol-1-ylidene)azanium?
(3-aminoisoindol-1-ylidene)azanium has a molecular weight of 146.17 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoisoindol-1-ylidene)azanium is sourced from PubChem (CID 40544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).