2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile

C23H20N2 — CID 52911219

IUPAC2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile
SMILESN#CCC1CN1c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2/c24-16-15-20-17-25(20)22-14-8-7-13-21(22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15,17H2
InChIKeyVVPZDCRBTJMRSL-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.97
Rot. Bonds5

About 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile

2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile (PubChem CID 52911219) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile
PubChem CID52911219
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile
SMILESN#CCC1CN1c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2/c24-16-15-20-17-25(20)22-14-8-7-13-21(22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15,17H2
InChIKeyVVPZDCRBTJMRSL-UHFFFAOYSA-N
XLogP4.97
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile (CID 52911219) is 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile is N#CCC1CN1c1ccccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile?
The InChIKey is VVPZDCRBTJMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c24-16-15-20-17-25(20)22-14-8-7-13-21(22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15,17H2.
What are the key properties of 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile?
2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile has a molecular weight of 324.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile is sourced from PubChem (CID 52911219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).