(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide

C15H20N2O2 — CID 110837751

IUPAC(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)[C@@H]3CCCN3)ccc2O1
InChIInChI=1S/C15H20N2O2/c1-15(2)9-10-8-11(5-6-13(10)19-15)17-14(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyWURASKGMYDRMJB-LBPRGKRZSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds2

About (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide

(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide (PubChem CID 110837751) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide
PubChem CID110837751
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)[C@@H]3CCCN3)ccc2O1
InChIInChI=1S/C15H20N2O2/c1-15(2)9-10-8-11(5-6-13(10)19-15)17-14(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyWURASKGMYDRMJB-LBPRGKRZSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
CID 64866818
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide (CID 110837751) is (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide is CC1(C)Cc2cc(NC(=O)[C@@H]3CCCN3)ccc2O1.
What is the InChIKey of (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is WURASKGMYDRMJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)9-10-8-11(5-6-13(10)19-15)17-14(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide?
(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110837751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).