2-prop-2-enylaniline

C9H11N — CID 3036592

IUPAC2-prop-2-enylaniline
SMILESC=CCc1ccccc1N
InChIInChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5,10H2
InChIKeyLVFFFZMLLZHVNL-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.00
Rot. Bonds2

About 2-prop-2-enylaniline

2-prop-2-enylaniline (PubChem CID 3036592) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-prop-2-enylaniline.

Molecular Properties

Compound Name2-prop-2-enylaniline
PubChem CID3036592
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-prop-2-enylaniline
SMILESC=CCc1ccccc1N
InChIInChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5,10H2
InChIKeyLVFFFZMLLZHVNL-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
2-hydroxyethylidenetungsten;methane;2-prop-2-enylaniline
CID 161486052
2-(2-aminophenyl)acetaldehyde;hydrochloride
CID 87322292
2-pent-4-enylaniline
CID 57134945
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
5-methyl-2-prop-2-enylaniline
CID 45078970
2-prop-2-enylbenzenediazonium
CID 87917862
2,4-bis(prop-2-enyl)aniline
CID 67154427
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
2-prop-2-enylaniline;yttrium
CID 58219768

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylaniline?
The IUPAC name of 2-prop-2-enylaniline (CID 3036592) is 2-prop-2-enylaniline.
What is the SMILES notation for 2-prop-2-enylaniline?
The canonical SMILES for 2-prop-2-enylaniline is C=CCc1ccccc1N.
What is the InChIKey of 2-prop-2-enylaniline?
The InChIKey is LVFFFZMLLZHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5,10H2.
What are the key properties of 2-prop-2-enylaniline?
2-prop-2-enylaniline has a molecular weight of 133.19 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylaniline is sourced from PubChem (CID 3036592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).