5-ethenyl-3-iminoisoindol-1-amine

C10H9N3 — CID 86166653

IUPAC5-ethenyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(C=C)cc21
InChIInChI=1S/C10H9N3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h2-5H,1H2,(H3,11,12,13)
InChIKeyNQPBMRXIENWSNF-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.37
Rot. Bonds1

About 5-ethenyl-3-iminoisoindol-1-amine

5-ethenyl-3-iminoisoindol-1-amine (PubChem CID 86166653) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-ethenyl-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name5-ethenyl-3-iminoisoindol-1-amine
PubChem CID86166653
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name5-ethenyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(C=C)cc21
InChIInChI=1S/C10H9N3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h2-5H,1H2,(H3,11,12,13)
InChIKeyNQPBMRXIENWSNF-UHFFFAOYSA-N
XLogP1.37
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.37
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 5-ethenyl-3-iminoisoindol-1-amine?
The IUPAC name of 5-ethenyl-3-iminoisoindol-1-amine (CID 86166653) is 5-ethenyl-3-iminoisoindol-1-amine.
What is the SMILES notation for 5-ethenyl-3-iminoisoindol-1-amine?
The canonical SMILES for 5-ethenyl-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2ccc(C=C)cc21.
What is the InChIKey of 5-ethenyl-3-iminoisoindol-1-amine?
The InChIKey is NQPBMRXIENWSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h2-5H,1H2,(H3,11,12,13).
What are the key properties of 5-ethenyl-3-iminoisoindol-1-amine?
5-ethenyl-3-iminoisoindol-1-amine has a molecular weight of 171.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-iminoisoindol-1-amine is sourced from PubChem (CID 86166653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).