4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile

C22H24N2 — CID 11973711

IUPAC4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C22H24N2/c1-16-3-2-12-24(16)22-13-21(14-22)20-10-8-19(9-11-20)18-6-4-17(15-23)5-7-18/h4-11,16,21-22H,2-3,12-14H2,1H3/t16-,21?,22?/m1/s1
InChIKeyDQUUMUHVZGIZNI-NYYVNYEXSA-N
MW316.45 g/mol
LogP4.96
Rot. Bonds3

About 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile

4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile (PubChem CID 11973711) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile
PubChem CID11973711
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C22H24N2/c1-16-3-2-12-24(16)22-13-21(14-22)20-10-8-19(9-11-20)18-6-4-17(15-23)5-7-18/h4-11,16,21-22H,2-3,12-14H2,1H3/t16-,21?,22?/m1/s1
InChIKeyDQUUMUHVZGIZNI-NYYVNYEXSA-N
XLogP4.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile (CID 11973711) is 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile is C[C@@H]1CCCN1C1CC(c2ccc(-c3ccc(C#N)cc3)cc2)C1.
What is the InChIKey of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile?
The InChIKey is DQUUMUHVZGIZNI-NYYVNYEXSA-N. The full InChI is InChI=1S/C22H24N2/c1-16-3-2-12-24(16)22-13-21(14-22)20-10-8-19(9-11-20)18-6-4-17(15-23)5-7-18/h4-11,16,21-22H,2-3,12-14H2,1H3/t16-,21?,22?/m1/s1.
What are the key properties of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile?
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile has a molecular weight of 316.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]benzonitrile is sourced from PubChem (CID 11973711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).