3-iminoisoindol-1-amine

C8H7N3 — CID 18980

IUPAC3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKeyRZVCEPSDYHAHLX-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.73
Rot. Bonds

About 3-iminoisoindol-1-amine

3-iminoisoindol-1-amine (PubChem CID 18980) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-iminoisoindol-1-amine.

Molecular Properties

Compound Name3-iminoisoindol-1-amine
PubChem CID18980
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKeyRZVCEPSDYHAHLX-UHFFFAOYSA-N
XLogP0.73
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iminoisoindol-1-amine?
The IUPAC name of 3-iminoisoindol-1-amine (CID 18980) is 3-iminoisoindol-1-amine.
What is the SMILES notation for 3-iminoisoindol-1-amine?
The canonical SMILES for 3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2ccccc21.
What is the InChIKey of 3-iminoisoindol-1-amine?
The InChIKey is RZVCEPSDYHAHLX-UHFFFAOYSA-N. 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).
What are the key properties of 3-iminoisoindol-1-amine?
3-iminoisoindol-1-amine has a molecular weight of 145.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoisoindol-1-amine is sourced from PubChem (CID 18980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).