2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile

C18H16N2O2 — CID 111561000

IUPAC2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C18H16N2O2/c19-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18(22)20-10-9-14(21)12-20/h1-8,14,21H,9-10,12H2/t14-/m1/s1
InChIKeySEBCDLVQXLBKHC-CQSZACIVSA-N
MW292.34 g/mol
LogP2.43
Rot. Bonds2

About 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile

2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile (PubChem CID 111561000) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
PubChem CID111561000
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C18H16N2O2/c19-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18(22)20-10-9-14(21)12-20/h1-8,14,21H,9-10,12H2/t14-/m1/s1
InChIKeySEBCDLVQXLBKHC-CQSZACIVSA-N
XLogP2.43
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenoxy]methyl]benzonitrile
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[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile (CID 111561000) is 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile?
The InChIKey is SEBCDLVQXLBKHC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-13-5-1-2-6-15(13)16-7-3-4-8-17(16)18(22)20-10-9-14(21)12-20/h1-8,14,21H,9-10,12H2/t14-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile?
2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile is sourced from PubChem (CID 111561000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).