(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C16H18FNO3 — CID 23723907

IUPAC(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C16H18FNO3/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(19)18-7-6-11(8-18)9-20-2/h3-5,11H,6-9H2,1-2H3
InChIKeyXMNSILQDKQINMJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.99
Rot. Bonds3

About (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 23723907) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID23723907
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C16H18FNO3/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(19)18-7-6-11(8-18)9-20-2/h3-5,11H,6-9H2,1-2H3
InChIKeyXMNSILQDKQINMJ-UHFFFAOYSA-N
XLogP2.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 23723907) is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2oc3c(F)cccc3c2C)C1.
What is the InChIKey of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XMNSILQDKQINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10-12-4-3-5-13(17)15(12)21-14(10)16(19)18-7-6-11(8-18)9-20-2/h3-5,11H,6-9H2,1-2H3.
What are the key properties of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 291.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 23723907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).