(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile

C18H15NO — CID 102350213

IUPAC(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile
SMILESN#C[C@@]1(C(=O)Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H15NO/c19-13-18(12-16(18)15-9-5-2-6-10-15)17(20)11-14-7-3-1-4-8-14/h1-10,16H,11-12H2/t16?,18-/m0/s1
InChIKeyHXSVVHPUFDJEMG-DAFXYXGESA-N
MW261.32 g/mol
LogP3.50
Rot. Bonds4

About (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile

(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile (PubChem CID 102350213) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile
PubChem CID102350213
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile
SMILESN#C[C@@]1(C(=O)Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H15NO/c19-13-18(12-16(18)15-9-5-2-6-10-15)17(20)11-14-7-3-1-4-8-14/h1-10,16H,11-12H2/t16?,18-/m0/s1
InChIKeyHXSVVHPUFDJEMG-DAFXYXGESA-N
XLogP3.50
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile?
The IUPAC name of (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile (CID 102350213) is (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile?
The canonical SMILES for (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile is N#C[C@@]1(C(=O)Cc2ccccc2)CC1c1ccccc1.
What is the InChIKey of (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile?
The InChIKey is HXSVVHPUFDJEMG-DAFXYXGESA-N. The full InChI is InChI=1S/C18H15NO/c19-13-18(12-16(18)15-9-5-2-6-10-15)17(20)11-14-7-3-1-4-8-14/h1-10,16H,11-12H2/t16?,18-/m0/s1.
What are the key properties of (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile?
(1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-1-(2-phenylacetyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 102350213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).