1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole

C14H20N2 — CID 146317920

IUPAC1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1CCc2c(CN3CCCC3)cccc21
InChIInChI=1S/C14H20N2/c1-15-10-7-13-12(5-4-6-14(13)15)11-16-8-2-3-9-16/h4-6H,2-3,7-11H2,1H3
InChIKeyNXFSICHGFMVZBV-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.27
Rot. Bonds2

About 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole

1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 146317920) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
PubChem CID146317920
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
SMILESCN1CCc2c(CN3CCCC3)cccc21
InChIInChI=1S/C14H20N2/c1-15-10-7-13-12(5-4-6-14(13)15)11-16-8-2-3-9-16/h4-6H,2-3,7-11H2,1H3
InChIKeyNXFSICHGFMVZBV-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[(1-methyl-2,3-dihydroindol-4-yl)methyl]ethanamine
CID 147931462
(2-tert-butylpyrimidin-5-yl)-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]methanone
CID 126813047
4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
2-hydroxy-2-pyridin-3-yl-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 154799440
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
CID 83852967
4-(methoxymethoxy)-1-methyl-2,3-dihydroindole
CID 146317984
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole (CID 146317920) is 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole is CN1CCc2c(CN3CCCC3)cccc21.
What is the InChIKey of 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is NXFSICHGFMVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-10-7-13-12(5-4-6-14(13)15)11-16-8-2-3-9-16/h4-6H,2-3,7-11H2,1H3.
What are the key properties of 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole?
1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 216.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 146317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).