[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C17H21FN2O2 — CID 71927981

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(C)C(N(C)C)C2)oc2c(F)cccc12
InChIInChI=1S/C17H21FN2O2/c1-10-8-20(9-14(10)19(3)4)17(21)15-11(2)12-6-5-7-13(18)16(12)22-15/h5-7,10,14H,8-9H2,1-4H3
InChIKeyLHIAUBXVPDEGQN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.90
Rot. Bonds2

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 71927981) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID71927981
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(C)C(N(C)C)C2)oc2c(F)cccc12
InChIInChI=1S/C17H21FN2O2/c1-10-8-20(9-14(10)19(3)4)17(21)15-11(2)12-6-5-7-13(18)16(12)22-15/h5-7,10,14H,8-9H2,1-4H3
InChIKeyLHIAUBXVPDEGQN-UHFFFAOYSA-N
XLogP2.90
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 71927981) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CC(C)C(N(C)C)C2)oc2c(F)cccc12.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is LHIAUBXVPDEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10-8-20(9-14(10)19(3)4)17(21)15-11(2)12-6-5-7-13(18)16(12)22-15/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 304.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 71927981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).