4-[(Z)-1-aminoprop-1-enyl]aniline

C9H12N2 — CID 145170483

IUPAC4-[(Z)-1-aminoprop-1-enyl]aniline
SMILESC/C=C(\N)c1ccc(N)cc1
InChIInChI=1S/C9H12N2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,10-11H2,1H3/b9-2-
InChIKeyFJOILKHNJBNTLP-MBXJOHMKSA-N
MW148.21 g/mol
LogP1.59
Rot. Bonds1

About 4-[(Z)-1-aminoprop-1-enyl]aniline

4-[(Z)-1-aminoprop-1-enyl]aniline (PubChem CID 145170483) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-[(Z)-1-aminoprop-1-enyl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-aminoprop-1-enyl]aniline
PubChem CID145170483
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-[(Z)-1-aminoprop-1-enyl]aniline
SMILESC/C=C(\N)c1ccc(N)cc1
InChIInChI=1S/C9H12N2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,10-11H2,1H3/b9-2-
InChIKeyFJOILKHNJBNTLP-MBXJOHMKSA-N
XLogP1.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.59
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-[(Z)-1-aminoprop-1-enyl]aniline?
The IUPAC name of 4-[(Z)-1-aminoprop-1-enyl]aniline (CID 145170483) is 4-[(Z)-1-aminoprop-1-enyl]aniline.
What is the SMILES notation for 4-[(Z)-1-aminoprop-1-enyl]aniline?
The canonical SMILES for 4-[(Z)-1-aminoprop-1-enyl]aniline is C/C=C(\N)c1ccc(N)cc1.
What is the InChIKey of 4-[(Z)-1-aminoprop-1-enyl]aniline?
The InChIKey is FJOILKHNJBNTLP-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,10-11H2,1H3/b9-2-.
What are the key properties of 4-[(Z)-1-aminoprop-1-enyl]aniline?
4-[(Z)-1-aminoprop-1-enyl]aniline has a molecular weight of 148.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-aminoprop-1-enyl]aniline is sourced from PubChem (CID 145170483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).