5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole

C13H18N2O — CID 115074528

IUPAC5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1CCCN1)CCN2
InChIInChI=1S/C13H18N2O/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14-15H,1-2,5-7,9H2
InChIKeyFAFASORMUJOHQS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds3

About 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole

5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole (PubChem CID 115074528) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
PubChem CID115074528
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCC1CCCN1)CCN2
InChIInChI=1S/C13H18N2O/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14-15H,1-2,5-7,9H2
InChIKeyFAFASORMUJOHQS-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
CID 84684744
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
6-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole (CID 115074528) is 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OCC1CCCN1)CCN2.
What is the InChIKey of 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole?
The InChIKey is FAFASORMUJOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-11(14-6-1)9-16-12-3-4-13-10(8-12)5-7-15-13/h3-4,8,11,14-15H,1-2,5-7,9H2.
What are the key properties of 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole?
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole has a molecular weight of 218.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).