1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine

C12H15NO — CID 125478085

IUPAC1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
SMILESc1ccc2c(c1)OC[C@H]2N1CCCC1
InChIInChI=1S/C12H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-13/h1-2,5-6,11H,3-4,7-9H2/t11-/m1/s1
InChIKeyPOZMZPHZAWFNNX-LLVKDONJSA-N
MW189.26 g/mol
LogP2.22
Rot. Bonds1

About 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine

1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine (PubChem CID 125478085) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
PubChem CID125478085
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
SMILESc1ccc2c(c1)OC[C@H]2N1CCCC1
InChIInChI=1S/C12H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-13/h1-2,5-6,11H,3-4,7-9H2/t11-/m1/s1
InChIKeyPOZMZPHZAWFNNX-LLVKDONJSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
CID 54425684
4-(2,3-dihydro-1-benzofuran-3-yl)-1,4-diazaspiro[5.5]undecane
CID 64954431
2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925169
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
1-(3H-1,2-benzodioxol-3-yl)piperidine
CID 174802317
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine?
The IUPAC name of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine (CID 125478085) is 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine?
The canonical SMILES for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine is c1ccc2c(c1)OC[C@H]2N1CCCC1.
What is the InChIKey of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine?
The InChIKey is POZMZPHZAWFNNX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-12-10(5-1)11(9-14-12)13-7-3-4-8-13/h1-2,5-6,11H,3-4,7-9H2/t11-/m1/s1.
What are the key properties of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine?
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine has a molecular weight of 189.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine is sourced from PubChem (CID 125478085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).