1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

C16H19NO3 — CID 164638870

IUPAC1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@H]1CCN(C(=O)c2coc3ccccc23)C1
InChIInChI=1S/C16H19NO3/c1-2-19-10-12-7-8-17(9-12)16(18)14-11-20-15-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyMVOJHILTCSFSEE-LBPRGKRZSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds4

About 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 164638870) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID164638870
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@H]1CCN(C(=O)c2coc3ccccc23)C1
InChIInChI=1S/C16H19NO3/c1-2-19-10-12-7-8-17(9-12)16(18)14-11-20-15-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3/t12-/m0/s1
InChIKeyMVOJHILTCSFSEE-LBPRGKRZSA-N
XLogP2.93
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (CID 164638870) is 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is CCOC[C@H]1CCN(C(=O)c2coc3ccccc23)C1.
What is the InChIKey of 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MVOJHILTCSFSEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-10-12-7-8-17(9-12)16(18)14-11-20-15-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 273.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164638870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).