2-but-1-en-2-yl-N-ethenylaniline

C12H15N — CID 174359316

IUPAC2-but-1-en-2-yl-N-ethenylaniline
SMILESC=CNc1ccccc1C(=C)CC
InChIInChI=1S/C12H15N/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h5-9,13H,2-4H2,1H3
InChIKeyLYZXCSZTFYUZIP-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.67
Rot. Bonds4

About 2-but-1-en-2-yl-N-ethenylaniline

2-but-1-en-2-yl-N-ethenylaniline (PubChem CID 174359316) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-but-1-en-2-yl-N-ethenylaniline.

Molecular Properties

Compound Name2-but-1-en-2-yl-N-ethenylaniline
PubChem CID174359316
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-but-1-en-2-yl-N-ethenylaniline
SMILESC=CNc1ccccc1C(=C)CC
InChIInChI=1S/C12H15N/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h5-9,13H,2-4H2,1H3
InChIKeyLYZXCSZTFYUZIP-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160693211
(E)-N-ethenyl-2-[2-(3-methylbuta-1,3-dien-2-yl)phenyl]but-1-en-1-amine
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but-1-ene;N-ethenylaniline
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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-N-ethenylaniline?
The IUPAC name of 2-but-1-en-2-yl-N-ethenylaniline (CID 174359316) is 2-but-1-en-2-yl-N-ethenylaniline.
What is the SMILES notation for 2-but-1-en-2-yl-N-ethenylaniline?
The canonical SMILES for 2-but-1-en-2-yl-N-ethenylaniline is C=CNc1ccccc1C(=C)CC.
What is the InChIKey of 2-but-1-en-2-yl-N-ethenylaniline?
The InChIKey is LYZXCSZTFYUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h5-9,13H,2-4H2,1H3.
What are the key properties of 2-but-1-en-2-yl-N-ethenylaniline?
2-but-1-en-2-yl-N-ethenylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.67, 4 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-yl-N-ethenylaniline is sourced from PubChem (CID 174359316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).