1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide

C14H15N3O3 — CID 43183682

IUPAC1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccccc1OCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C14H15N3O3/c15-8-10-4-1-2-6-12(10)20-9-13(18)17-7-3-5-11(17)14(16)19/h1-2,4,6,11H,3,5,7,9H2,(H2,16,19)
InChIKeyLQHIJRUFBMDVIO-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.41
Rot. Bonds4

About 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide

1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide (PubChem CID 43183682) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
PubChem CID43183682
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccccc1OCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C14H15N3O3/c15-8-10-4-1-2-6-12(10)20-9-13(18)17-7-3-5-11(17)14(16)19/h1-2,4,6,11H,3,5,7,9H2,(H2,16,19)
InChIKeyLQHIJRUFBMDVIO-UHFFFAOYSA-N
XLogP0.41
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4aR,7aS)-6-methyl-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-1-yl]-2-oxoethoxy]benzonitrile
CID 120954900
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
2-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 120949600
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 38607341
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide (CID 43183682) is 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide is N#Cc1ccccc1OCC(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is LQHIJRUFBMDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-8-10-4-1-2-6-12(10)20-9-13(18)17-7-3-5-11(17)14(16)19/h1-2,4,6,11H,3,5,7,9H2,(H2,16,19).
What are the key properties of 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide?
1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43183682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).