1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine

C15H17NO2 — CID 21258113

IUPAC1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
SMILESC=C(c1cc2cccc(OC)c2o1)N1CCCC1
InChIInChI=1S/C15H17NO2/c1-11(16-8-3-4-9-16)14-10-12-6-5-7-13(17-2)15(12)18-14/h5-7,10H,1,3-4,8-9H2,2H3
InChIKeyDCQWQHKLFSYKJF-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine

1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine (PubChem CID 21258113) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
PubChem CID21258113
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
SMILESC=C(c1cc2cccc(OC)c2o1)N1CCCC1
InChIInChI=1S/C15H17NO2/c1-11(16-8-3-4-9-16)14-10-12-6-5-7-13(17-2)15(12)18-14/h5-7,10H,1,3-4,8-9H2,2H3
InChIKeyDCQWQHKLFSYKJF-UHFFFAOYSA-N
XLogP3.51
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722834
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine?
The IUPAC name of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine (CID 21258113) is 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine is C=C(c1cc2cccc(OC)c2o1)N1CCCC1.
What is the InChIKey of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine?
The InChIKey is DCQWQHKLFSYKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(16-8-3-4-9-16)14-10-12-6-5-7-13(17-2)15(12)18-14/h5-7,10H,1,3-4,8-9H2,2H3.
What are the key properties of 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine?
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine has a molecular weight of 243.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 21258113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).