1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole

C14H20N2 — CID 63714531

IUPAC1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
SMILESCC1CNCC1CN1CCc2ccccc21
InChIInChI=1S/C14H20N2/c1-11-8-15-9-13(11)10-16-7-6-12-4-2-3-5-14(12)16/h2-5,11,13,15H,6-10H2,1H3
InChIKeyMARRFIULLARLKE-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.90
Rot. Bonds2

About 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole

1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole (PubChem CID 63714531) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
PubChem CID63714531
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
SMILESCC1CNCC1CN1CCc2ccccc21
InChIInChI=1S/C14H20N2/c1-11-8-15-9-13(11)10-16-7-6-12-4-2-3-5-14(12)16/h2-5,11,13,15H,6-10H2,1H3
InChIKeyMARRFIULLARLKE-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63716022
[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64735817
2-(2,3-dihydroindol-1-ylmethyl)cyclopentan-1-ol
CID 62609345
4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627605
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199722
1-butyl-2,3-dihydroindole
CID 4167209
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole (CID 63714531) is 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole is CC1CNCC1CN1CCc2ccccc21.
What is the InChIKey of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
The InChIKey is MARRFIULLARLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-8-15-9-13(11)10-16-7-6-12-4-2-3-5-14(12)16/h2-5,11,13,15H,6-10H2,1H3.
What are the key properties of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole?
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole has a molecular weight of 216.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 63714531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).