1-anthracen-2-ylaziridine

C16H13N — CID 140967358

IUPAC1-anthracen-2-ylaziridine
SMILESc1ccc2cc3cc(N4CC4)ccc3cc2c1
InChIInChI=1S/C16H13N/c1-2-4-13-10-15-11-16(17-7-8-17)6-5-14(15)9-12(13)3-1/h1-6,9-11H,7-8H2
InChIKeyYZBHBVYBSAJHIX-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.81
Rot. Bonds1

About 1-anthracen-2-ylaziridine

1-anthracen-2-ylaziridine (PubChem CID 140967358) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-anthracen-2-ylaziridine.

Molecular Properties

Compound Name1-anthracen-2-ylaziridine
PubChem CID140967358
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name1-anthracen-2-ylaziridine
SMILESc1ccc2cc3cc(N4CC4)ccc3cc2c1
InChIInChI=1S/C16H13N/c1-2-4-13-10-15-11-16(17-7-8-17)6-5-14(15)9-12(13)3-1/h1-6,9-11H,7-8H2
InChIKeyYZBHBVYBSAJHIX-UHFFFAOYSA-N
XLogP3.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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-anthracen-2-ylaziridine?
The IUPAC name of 1-anthracen-2-ylaziridine (CID 140967358) is 1-anthracen-2-ylaziridine.
What is the SMILES notation for 1-anthracen-2-ylaziridine?
The canonical SMILES for 1-anthracen-2-ylaziridine is c1ccc2cc3cc(N4CC4)ccc3cc2c1.
What is the InChIKey of 1-anthracen-2-ylaziridine?
The InChIKey is YZBHBVYBSAJHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-4-13-10-15-11-16(17-7-8-17)6-5-14(15)9-12(13)3-1/h1-6,9-11H,7-8H2.
What are the key properties of 1-anthracen-2-ylaziridine?
1-anthracen-2-ylaziridine has a molecular weight of 219.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-2-ylaziridine is sourced from PubChem (CID 140967358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).