3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine

C17H23NO — CID 154807715

IUPAC3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
SMILESc1cc2c(cc1CCN1CCC(C3CC3)C1)CCO2
InChIInChI=1S/C17H23NO/c1-4-17-15(7-10-19-17)11-13(1)5-8-18-9-6-16(12-18)14-2-3-14/h1,4,11,14,16H,2-3,5-10,12H2
InChIKeyYACUIXDDQMFOKO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.90
Rot. Bonds4

About 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine

3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine (PubChem CID 154807715) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
PubChem CID154807715
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
SMILESc1cc2c(cc1CCN1CCC(C3CC3)C1)CCO2
InChIInChI=1S/C17H23NO/c1-4-17-15(7-10-19-17)11-13(1)5-8-18-9-6-16(12-18)14-2-3-14/h1,4,11,14,16H,2-3,5-10,12H2
InChIKeyYACUIXDDQMFOKO-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
CID 111487291
1-(3-chlorophenyl)-3-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-3H-indol-2-one
CID 139845177
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;2,3-dihydroxybutanedioic acid
CID 69305923
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The IUPAC name of 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine (CID 154807715) is 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine is c1cc2c(cc1CCN1CCC(C3CC3)C1)CCO2.
What is the InChIKey of 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
The InChIKey is YACUIXDDQMFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-17-15(7-10-19-17)11-13(1)5-8-18-9-6-16(12-18)14-2-3-14/h1,4,11,14,16H,2-3,5-10,12H2.
What are the key properties of 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine?
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine has a molecular weight of 257.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine is sourced from PubChem (CID 154807715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).