(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone

C21H21NO3 — CID 86878769

IUPAC(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(C)C3)oc2c1
InChIInChI=1S/C21H21NO3/c1-14-10-11-22(13-14)21(23)20-19(15-6-4-3-5-7-15)17-9-8-16(24-2)12-18(17)25-20/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyNDQYHQSTISDTFY-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.59
Rot. Bonds3

About (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone

(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 86878769) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID86878769
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(C)C3)oc2c1
InChIInChI=1S/C21H21NO3/c1-14-10-11-22(13-14)21(23)20-19(15-6-4-3-5-7-15)17-9-8-16(24-2)12-18(17)25-20/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyNDQYHQSTISDTFY-UHFFFAOYSA-N
XLogP4.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
CID 119374183
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 120817453
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 167854184
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 120947243
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 97155685
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70754964
2-bromo-6-methoxy-3-phenyl-1-benzofuran
CID 21436790
4-(3,5-dimethylpiperidine-1-carbonyl)-7-methoxychromen-2-one
CID 75796712
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70738903
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 56576859

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 86878769) is (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone is COc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(C)C3)oc2c1.
What is the InChIKey of (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is NDQYHQSTISDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-10-11-22(13-14)21(23)20-19(15-6-4-3-5-7-15)17-9-8-16(24-2)12-18(17)25-20/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86878769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).