1-(4-but-1-enylphenyl)aziridine

C12H15N — CID 154114150

IUPAC1-(4-but-1-enylphenyl)aziridine
SMILESCCC=Cc1ccc(N2CC2)cc1
InChIInChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-13/h3-8H,2,9-10H2,1H3
InChIKeyOSVHIPRIEDUHEI-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-but-1-enylphenyl)aziridine

1-(4-but-1-enylphenyl)aziridine (PubChem CID 154114150) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(4-but-1-enylphenyl)aziridine.

Molecular Properties

Compound Name1-(4-but-1-enylphenyl)aziridine
PubChem CID154114150
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(4-but-1-enylphenyl)aziridine
SMILESCCC=Cc1ccc(N2CC2)cc1
InChIInChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-13/h3-8H,2,9-10H2,1H3
InChIKeyOSVHIPRIEDUHEI-UHFFFAOYSA-N
XLogP2.93
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-enylphenyl)aziridine?
The IUPAC name of 1-(4-but-1-enylphenyl)aziridine (CID 154114150) is 1-(4-but-1-enylphenyl)aziridine.
What is the SMILES notation for 1-(4-but-1-enylphenyl)aziridine?
The canonical SMILES for 1-(4-but-1-enylphenyl)aziridine is CCC=Cc1ccc(N2CC2)cc1.
What is the InChIKey of 1-(4-but-1-enylphenyl)aziridine?
The InChIKey is OSVHIPRIEDUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-13/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(4-but-1-enylphenyl)aziridine?
1-(4-but-1-enylphenyl)aziridine has a molecular weight of 173.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-enylphenyl)aziridine is sourced from PubChem (CID 154114150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).