but-1-ene;N-ethenylaniline

C12H17N — CID 142853623

IUPACbut-1-ene;N-ethenylaniline
SMILESC=CCC.C=CNc1ccccc1
InChIInChI=1S/C8H9N.C4H8/c1-2-9-8-6-4-3-5-7-8;1-3-4-2/h2-7,9H,1H2;3H,1,4H2,2H3
InChIKeyVAPQIFREEHNTTI-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.82
Rot. Bonds3

About but-1-ene;N-ethenylaniline

but-1-ene;N-ethenylaniline (PubChem CID 142853623) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is but-1-ene;N-ethenylaniline.

Molecular Properties

Compound Namebut-1-ene;N-ethenylaniline
PubChem CID142853623
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Namebut-1-ene;N-ethenylaniline
SMILESC=CCC.C=CNc1ccccc1
InChIInChI=1S/C8H9N.C4H8/c1-2-9-8-6-4-3-5-7-8;1-3-4-2/h2-7,9H,1H2;3H,1,4H2,2H3
InChIKeyVAPQIFREEHNTTI-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethenylaniline;methanamine
CID 143723226
N-[(1E)-penta-1,4-dienyl]aniline
CID 142183076
N-methylaniline;N-prop-2-enylprop-2-en-1-amine
CID 23221751
benzene;4-[4-(ethenylamino)phenyl]aniline
CID 174461656
benzene;but-1-ene;methanamine
CID 174634102
N-ethenyl-3-methylaniline
CID 69480469
benzene;bis(N-prop-1-enylaniline)
CID 70363490
butane;N-ethenyl-2-methylaniline
CID 142042280
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
N-ethenyl-4-(fluoromethyl)aniline
CID 163560562
N,4-bis(ethenyl)aniline
CID 21060901
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
CID 23063595

Frequently Asked Questions

What is the IUPAC name of but-1-ene;N-ethenylaniline?
The IUPAC name of but-1-ene;N-ethenylaniline (CID 142853623) is but-1-ene;N-ethenylaniline.
What is the SMILES notation for but-1-ene;N-ethenylaniline?
The canonical SMILES for but-1-ene;N-ethenylaniline is C=CCC.C=CNc1ccccc1.
What is the InChIKey of but-1-ene;N-ethenylaniline?
The InChIKey is VAPQIFREEHNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C4H8/c1-2-9-8-6-4-3-5-7-8;1-3-4-2/h2-7,9H,1H2;3H,1,4H2,2H3.
What are the key properties of but-1-ene;N-ethenylaniline?
but-1-ene;N-ethenylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N-ethenylaniline is sourced from PubChem (CID 142853623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).