4-(2-prop-2-enylhydrazinyl)aniline

C9H13N3 — CID 68618239

IUPAC4-(2-prop-2-enylhydrazinyl)aniline
SMILESC=CCNNc1ccc(N)cc1
InChIInChI=1S/C9H13N3/c1-2-7-11-12-9-5-3-8(10)4-6-9/h2-6,11-12H,1,7,10H2
InChIKeyBAYUHONYJVBUEO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.37
Rot. Bonds4

About 4-(2-prop-2-enylhydrazinyl)aniline

4-(2-prop-2-enylhydrazinyl)aniline (PubChem CID 68618239) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(2-prop-2-enylhydrazinyl)aniline.

Molecular Properties

Compound Name4-(2-prop-2-enylhydrazinyl)aniline
PubChem CID68618239
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(2-prop-2-enylhydrazinyl)aniline
SMILESC=CCNNc1ccc(N)cc1
InChIInChI=1S/C9H13N3/c1-2-7-11-12-9-5-3-8(10)4-6-9/h2-6,11-12H,1,7,10H2
InChIKeyBAYUHONYJVBUEO-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylhydrazinyl)aniline?
The IUPAC name of 4-(2-prop-2-enylhydrazinyl)aniline (CID 68618239) is 4-(2-prop-2-enylhydrazinyl)aniline.
What is the SMILES notation for 4-(2-prop-2-enylhydrazinyl)aniline?
The canonical SMILES for 4-(2-prop-2-enylhydrazinyl)aniline is C=CCNNc1ccc(N)cc1.
What is the InChIKey of 4-(2-prop-2-enylhydrazinyl)aniline?
The InChIKey is BAYUHONYJVBUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-11-12-9-5-3-8(10)4-6-9/h2-6,11-12H,1,7,10H2.
What are the key properties of 4-(2-prop-2-enylhydrazinyl)aniline?
4-(2-prop-2-enylhydrazinyl)aniline has a molecular weight of 163.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylhydrazinyl)aniline is sourced from PubChem (CID 68618239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).