3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine

C14H19NO — CID 79368569

IUPAC3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
SMILESCOc1ccc2c(c1)C(C1CCNC1)CC2
InChIInChI=1S/C14H19NO/c1-16-12-4-2-10-3-5-13(14(10)8-12)11-6-7-15-9-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3
InChIKeyXMNAVSLJERFAFC-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.33
Rot. Bonds2

About 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine

3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine (PubChem CID 79368569) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
PubChem CID79368569
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
SMILESCOc1ccc2c(c1)C(C1CCNC1)CC2
InChIInChI=1S/C14H19NO/c1-16-12-4-2-10-3-5-13(14(10)8-12)11-6-7-15-9-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3
InChIKeyXMNAVSLJERFAFC-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
CID 21461147
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
CID 70279955
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677859
N-ethyl-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-3-amine
CID 79374703
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The IUPAC name of 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine (CID 79368569) is 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine.
What is the SMILES notation for 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The canonical SMILES for 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine is COc1ccc2c(c1)C(C1CCNC1)CC2.
What is the InChIKey of 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
The InChIKey is XMNAVSLJERFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-4-2-10-3-5-13(14(10)8-12)11-6-7-15-9-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3.
What are the key properties of 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine?
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine is sourced from PubChem (CID 79368569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).