2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile

C20H22N2 — CID 12822282

IUPAC2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile
SMILESCC(C)N1CC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2/c1-16(2)22-13-19(14-22)20(15-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-14H2,1-2H3
InChIKeyAWWCMPUCIYAHLI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.84
Rot. Bonds4

About 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile

2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile (PubChem CID 12822282) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile
PubChem CID12822282
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile
SMILESCC(C)N1CC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2/c1-16(2)22-13-19(14-22)20(15-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-14H2,1-2H3
InChIKeyAWWCMPUCIYAHLI-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile?
The IUPAC name of 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile (CID 12822282) is 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile?
The canonical SMILES for 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile is CC(C)N1CC(C(C#N)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile?
The InChIKey is AWWCMPUCIYAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-16(2)22-13-19(14-22)20(15-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-14H2,1-2H3.
What are the key properties of 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile?
2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile has a molecular weight of 290.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-(1-propan-2-ylazetidin-3-yl)acetonitrile is sourced from PubChem (CID 12822282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).