1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole

C16H24N2 — CID 83074635

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
SMILESCCC1(CN2c3ccccc3CC2C)CCCN1
InChIInChI=1S/C16H24N2/c1-3-16(9-6-10-17-16)12-18-13(2)11-14-7-4-5-8-15(14)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyXUBSBZWDKTVBPV-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.97
Rot. Bonds3

About 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole

1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole (PubChem CID 83074635) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
PubChem CID83074635
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
SMILESCCC1(CN2c3ccccc3CC2C)CCCN1
InChIInChI=1S/C16H24N2/c1-3-16(9-6-10-17-16)12-18-13(2)11-14-7-4-5-8-15(14)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyXUBSBZWDKTVBPV-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 83073868
1-[(2-methyl-2,3-dihydroindol-1-yl)methyl]cyclopropan-1-amine
CID 65458877
3-methyl-1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 106976426
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methyl-2,3-dihydroindole
CID 65009516
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
1-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]piperidin-3-ol
CID 71689234
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
CID 106976381
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
2-methyl-1-(piperidin-2-ylmethyl)-2,3-dihydroindole
CID 24692606
1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 106976204

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole (CID 83074635) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole is CCC1(CN2c3ccccc3CC2C)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is XUBSBZWDKTVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-16(9-6-10-17-16)12-18-13(2)11-14-7-4-5-8-15(14)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole?
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 244.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 83074635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).