(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C14H16N2O3 — CID 95132254

IUPAC(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)N1
InChIInChI=1S/C14H16N2O3/c17-13-6-5-11(16-13)14(18)15-8-10-7-9-3-1-2-4-12(9)19-10/h1-4,10-11H,5-8H2,(H,15,18)(H,16,17)/t10-,11+/m0/s1
InChIKeyRFIXZQHDRAAPOE-WDEREUQCSA-N
MW260.29 g/mol
LogP0.38
Rot. Bonds3

About (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95132254) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95132254
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)N1
InChIInChI=1S/C14H16N2O3/c17-13-6-5-11(16-13)14(18)15-8-10-7-9-3-1-2-4-12(9)19-10/h1-4,10-11H,5-8H2,(H,15,18)(H,16,17)/t10-,11+/m0/s1
InChIKeyRFIXZQHDRAAPOE-WDEREUQCSA-N
XLogP0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 45165822
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
CID 62233747
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37298431
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 95132254) is (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)N1.
What is the InChIKey of (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RFIXZQHDRAAPOE-WDEREUQCSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-6-5-11(16-13)14(18)15-8-10-7-9-3-1-2-4-12(9)19-10/h1-4,10-11H,5-8H2,(H,15,18)(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95132254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).