(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

C17H20N2O3 — CID 134160907

IUPAC(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)oc12
InChIInChI=1S/C17H20N2O3/c1-21-14-6-4-5-12-9-15(22-16(12)14)17(20)19-10-13(11-19)18-7-2-3-8-18/h4-6,9,13H,2-3,7-8,10-11H2,1H3
InChIKeyAGXRRPPWKOAOKP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds3

About (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (PubChem CID 134160907) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
PubChem CID134160907
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)oc12
InChIInChI=1S/C17H20N2O3/c1-21-14-6-4-5-12-9-15(22-16(12)14)17(20)19-10-13(11-19)18-7-2-3-8-18/h4-6,9,13H,2-3,7-8,10-11H2,1H3
InChIKeyAGXRRPPWKOAOKP-UHFFFAOYSA-N
XLogP2.36
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 90594882
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796254
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122243567
(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride
CID 18456501
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986548

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (CID 134160907) is (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is COc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The InChIKey is AGXRRPPWKOAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-14-6-4-5-12-9-15(22-16(12)14)17(20)19-10-13(11-19)18-7-2-3-8-18/h4-6,9,13H,2-3,7-8,10-11H2,1H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 134160907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).