4-ethenylbenzene-1,2-diamine

C8H10N2 — CID 18400401

IUPAC4-ethenylbenzene-1,2-diamine
SMILESC=Cc1ccc(N)c(N)c1
InChIInChI=1S/C8H10N2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1,9-10H2
InChIKeyITTDFJBEARSVPJ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.49
Rot. Bonds1

About 4-ethenylbenzene-1,2-diamine

4-ethenylbenzene-1,2-diamine (PubChem CID 18400401) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-ethenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethenylbenzene-1,2-diamine
PubChem CID18400401
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-ethenylbenzene-1,2-diamine
SMILESC=Cc1ccc(N)c(N)c1
InChIInChI=1S/C8H10N2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1,9-10H2
InChIKeyITTDFJBEARSVPJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzene-1,2-diamine?
The IUPAC name of 4-ethenylbenzene-1,2-diamine (CID 18400401) is 4-ethenylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethenylbenzene-1,2-diamine?
The canonical SMILES for 4-ethenylbenzene-1,2-diamine is C=Cc1ccc(N)c(N)c1.
What is the InChIKey of 4-ethenylbenzene-1,2-diamine?
The InChIKey is ITTDFJBEARSVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1,9-10H2.
What are the key properties of 4-ethenylbenzene-1,2-diamine?
4-ethenylbenzene-1,2-diamine has a molecular weight of 134.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzene-1,2-diamine is sourced from PubChem (CID 18400401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).