4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole

C14H20N2O — CID 115074421

IUPAC4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(COc2cccc3c2CCN3)CCNC1
InChIInChI=1S/C14H20N2O/c1-14(6-8-15-9-14)10-17-13-4-2-3-12-11(13)5-7-16-12/h2-4,15-16H,5-10H2,1H3
InChIKeyIAWDQMILCBXCHT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.03
Rot. Bonds3

About 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole

4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074421) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074421
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(COc2cccc3c2CCN3)CCNC1
InChIInChI=1S/C14H20N2O/c1-14(6-8-15-9-14)10-17-13-4-2-3-12-11(13)5-7-16-12/h2-4,15-16H,5-10H2,1H3
InChIKeyIAWDQMILCBXCHT-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
CID 115074393
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103
2-[(3-methylpyrrolidin-3-yl)methoxy]pyridine
CID 127006284
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
5-[(2-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075064
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074368

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole (CID 115074421) is 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole is CC1(COc2cccc3c2CCN3)CCNC1.
What is the InChIKey of 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is IAWDQMILCBXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(6-8-15-9-14)10-17-13-4-2-3-12-11(13)5-7-16-12/h2-4,15-16H,5-10H2,1H3.
What are the key properties of 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 232.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).