4-phenoxypyrrolidine-2-carboxamide

C11H14N2O2 — CID 175784716

IUPAC4-phenoxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Oc2ccccc2)CN1
InChIInChI=1S/C11H14N2O2/c12-11(14)10-6-9(7-13-10)15-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14)
InChIKeyIOGUTXMUGASONC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.28
Rot. Bonds3

About 4-phenoxypyrrolidine-2-carboxamide

4-phenoxypyrrolidine-2-carboxamide (PubChem CID 175784716) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-phenoxypyrrolidine-2-carboxamide
PubChem CID175784716
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-phenoxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Oc2ccccc2)CN1
InChIInChI=1S/C11H14N2O2/c12-11(14)10-6-9(7-13-10)15-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14)
InChIKeyIOGUTXMUGASONC-UHFFFAOYSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-methylsulfonyl-4-phenoxypyrrolidine-2-carboxamide
CID 102037964
(2S,4S)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid
CID 58003784
(2S,4S)-N-tert-butyl-4-phenoxypyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 22862000
[4-(2-hydroxybenzoyl)piperazin-1-yl]-[(2S,4S)-4-phenoxypyrrolidin-2-yl]methanone
CID 167832008
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
(2S)-N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide;dihydrochloride
CID 67667720
(2S,4R)-4-(4-tert-butylphenoxy)pyrrolidine-2-carboxylic acid
CID 24754776
(2R,4S)-2-methyl-4-phenoxypyrrolidine
CID 90167785
2-methyl-4-phenoxypyrrolidine
CID 90167586
(5-carbamoylpyrrolidin-3-yl) carbamate
CID 21292973
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2S,4S)-4-phenoxypyrrolidin-2-yl]methanone
CID 91469408
methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate
CID 53410485

Frequently Asked Questions

What is the IUPAC name of 4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of 4-phenoxypyrrolidine-2-carboxamide (CID 175784716) is 4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for 4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for 4-phenoxypyrrolidine-2-carboxamide is NC(=O)C1CC(Oc2ccccc2)CN1.
What is the InChIKey of 4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is IOGUTXMUGASONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(14)10-6-9(7-13-10)15-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14).
What are the key properties of 4-phenoxypyrrolidine-2-carboxamide?
4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 175784716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).