2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine

C16H23NO — CID 55076470

IUPAC2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
SMILESc1cc2c(cc1OCCCC1CCCN1)CCC2
InChIInChI=1S/C16H23NO/c1-4-13-8-9-16(12-14(13)5-1)18-11-3-7-15-6-2-10-17-15/h8-9,12,15,17H,1-7,10-11H2
InChIKeyOVAUOGYYTIAXGT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds5

About 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine

2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine (PubChem CID 55076470) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
PubChem CID55076470
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
SMILESc1cc2c(cc1OCCCC1CCCN1)CCC2
InChIInChI=1S/C16H23NO/c1-4-13-8-9-16(12-14(13)5-1)18-11-3-7-15-6-2-10-17-15/h8-9,12,15,17H,1-7,10-11H2
InChIKeyOVAUOGYYTIAXGT-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461
7-(3-pyrrolidin-2-ylpropoxy)quinoline
CID 107313758
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
2-[3-(3-chloro-4-nitrophenoxy)propyl]pyrrolidine
CID 62478362
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-methyl-7-(2-pyrrolidin-2-ylethoxy)-3,4-dihydroisoquinolin-1-one
CID 69005757
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine (CID 55076470) is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine is c1cc2c(cc1OCCCC1CCCN1)CCC2.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine?
The InChIKey is OVAUOGYYTIAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-13-8-9-16(12-14(13)5-1)18-11-3-7-15-6-2-10-17-15/h8-9,12,15,17H,1-7,10-11H2.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine?
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine is sourced from PubChem (CID 55076470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).