N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide

C14H15N3O2 — CID 155567204

IUPACN-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C#N)cc1
InChIInChI=1S/C14H15N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-13(17)9-15/h4-7,13H,2-3,8H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyZAXPUQJDDNSKSL-ZDUSSCGKSA-N
MW257.29 g/mol
LogP1.77
Rot. Bonds2

About N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide

N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 155567204) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID155567204
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C#N)cc1
InChIInChI=1S/C14H15N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-13(17)9-15/h4-7,13H,2-3,8H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyZAXPUQJDDNSKSL-ZDUSSCGKSA-N
XLogP1.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide (CID 155567204) is N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C#N)cc1.
What is the InChIKey of N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is ZAXPUQJDDNSKSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-13(17)9-15/h4-7,13H,2-3,8H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide?
N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-cyanopyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 155567204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).