2-but-1-en-2-ylaniline

C10H13N — CID 10582919

IUPAC2-but-1-en-2-ylaniline
SMILESC=C(CC)c1ccccc1N
InChIInChI=1S/C10H13N/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,2-3,11H2,1H3
InChIKeyZLAKJVYSXLRGSJ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.69
Rot. Bonds2

About 2-but-1-en-2-ylaniline

2-but-1-en-2-ylaniline (PubChem CID 10582919) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-but-1-en-2-ylaniline.

Molecular Properties

Compound Name2-but-1-en-2-ylaniline
PubChem CID10582919
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-but-1-en-2-ylaniline
SMILESC=C(CC)c1ccccc1N
InChIInChI=1S/C10H13N/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,2-3,11H2,1H3
InChIKeyZLAKJVYSXLRGSJ-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-but-1-en-2-ylphenyl)-1-methylhydrazine
CID 143658635
1-iodopropane;2-prop-1-en-2-ylaniline
CID 159191806
2-aminobenzoic acid;propanoic acid
CID 67067565
ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
CID 153370255
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
2-[3-(2-aminophenyl)but-3-enylamino]ethanethiol
CID 142978137
2-but-1-en-2-yl-N-ethenylaniline
CID 174359316
tert-butyl 4-(2-aminophenyl)-2-hydroxypent-4-enoate
CID 132917640
2-aminobenzoate;ethylazanium
CID 160595326
benzene-1,2-diamine;propanoic acid
CID 158630762
2-(2-aminophenyl)prop-2-enenitrile
CID 89157716
2-[3-[2-(4-tert-butylphenyl)ethylamino]prop-1-en-2-yl]aniline
CID 90788403

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-ylaniline?
The IUPAC name of 2-but-1-en-2-ylaniline (CID 10582919) is 2-but-1-en-2-ylaniline.
What is the SMILES notation for 2-but-1-en-2-ylaniline?
The canonical SMILES for 2-but-1-en-2-ylaniline is C=C(CC)c1ccccc1N.
What is the InChIKey of 2-but-1-en-2-ylaniline?
The InChIKey is ZLAKJVYSXLRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,2-3,11H2,1H3.
What are the key properties of 2-but-1-en-2-ylaniline?
2-but-1-en-2-ylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-ylaniline is sourced from PubChem (CID 10582919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).