2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile

C18H18N2 — CID 43802794

IUPAC2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H18N2/c19-14-18(20-12-4-5-13-20)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-13H2
InChIKeyQWZIZLBPUUIAMA-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile

2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile (PubChem CID 43802794) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
PubChem CID43802794
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
SMILESN#CC(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C18H18N2/c19-14-18(20-12-4-5-13-20)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-13H2
InChIKeyQWZIZLBPUUIAMA-UHFFFAOYSA-N
XLogP4.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
CID 43802813
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-phenyl-2-thiomorpholin-4-ylacetonitrile
CID 2825102
2-piperidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
CID 43802881
(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
CID 97413957
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]-2-phenylacetonitrile
CID 110883482
methyl 4-[cyano(piperidin-1-yl)methyl]benzoate
CID 43802919
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile?
The IUPAC name of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile (CID 43802794) is 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile.
What is the SMILES notation for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile?
The canonical SMILES for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile is N#CC(c1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile?
The InChIKey is QWZIZLBPUUIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-14-18(20-12-4-5-13-20)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-13H2.
What are the key properties of 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile?
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile is sourced from PubChem (CID 43802794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).