(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine

C15H21NO2 — CID 102820001

IUPAC(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
SMILESCC1(C)Cc2cccc(OC[C@H]3CCCN3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)9-11-5-3-7-13(14(11)18-15)17-10-12-6-4-8-16-12/h3,5,7,12,16H,4,6,8-10H2,1-2H3/t12-/m1/s1
InChIKeyVTTSVMBFAZOBEL-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds3

About (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine

(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine (PubChem CID 102820001) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
PubChem CID102820001
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
SMILESCC1(C)Cc2cccc(OC[C@H]3CCCN3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)9-11-5-3-7-13(14(11)18-15)17-10-12-6-4-8-16-12/h3,5,7,12,16H,4,6,8-10H2,1-2H3/t12-/m1/s1
InChIKeyVTTSVMBFAZOBEL-GFCCVEGCSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
CID 79563593
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
CID 64512506
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
2-(1-benzofuran-7-yloxymethyl)pyrrolidine
CID 84682714
2-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidine;hydrochloride
CID 164888275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine (CID 102820001) is (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine is CC1(C)Cc2cccc(OC[C@H]3CCCN3)c2O1.
What is the InChIKey of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine?
The InChIKey is VTTSVMBFAZOBEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)9-11-5-3-7-13(14(11)18-15)17-10-12-6-4-8-16-12/h3,5,7,12,16H,4,6,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine?
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 102820001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).