6-(pyrrolidin-2-ylmethyl)-1H-indole

C13H16N2 — CID 10198107

IUPAC6-(pyrrolidin-2-ylmethyl)-1H-indole
SMILESc1cc2ccc(CC3CCCN3)cc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-12(14-6-1)8-10-3-4-11-5-7-15-13(11)9-10/h3-5,7,9,12,14-15H,1-2,6,8H2
InChIKeyNFFVATAZNLKEFQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.46
Rot. Bonds2

About 6-(pyrrolidin-2-ylmethyl)-1H-indole

6-(pyrrolidin-2-ylmethyl)-1H-indole (PubChem CID 10198107) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 6-(pyrrolidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-(pyrrolidin-2-ylmethyl)-1H-indole
PubChem CID10198107
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name6-(pyrrolidin-2-ylmethyl)-1H-indole
SMILESc1cc2ccc(CC3CCCN3)cc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-12(14-6-1)8-10-3-4-11-5-7-15-13(11)9-10/h3-5,7,9,12,14-15H,1-2,6,8H2
InChIKeyNFFVATAZNLKEFQ-UHFFFAOYSA-N
XLogP2.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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6-(pyrrolidin-2-ylmethyl)-2,1-benzoxazole
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2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
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2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
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6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-2-ylmethyl)-1H-indole?
The IUPAC name of 6-(pyrrolidin-2-ylmethyl)-1H-indole (CID 10198107) is 6-(pyrrolidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 6-(pyrrolidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 6-(pyrrolidin-2-ylmethyl)-1H-indole is c1cc2ccc(CC3CCCN3)cc2[nH]1.
What is the InChIKey of 6-(pyrrolidin-2-ylmethyl)-1H-indole?
The InChIKey is NFFVATAZNLKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-12(14-6-1)8-10-3-4-11-5-7-15-13(11)9-10/h3-5,7,9,12,14-15H,1-2,6,8H2.
What are the key properties of 6-(pyrrolidin-2-ylmethyl)-1H-indole?
6-(pyrrolidin-2-ylmethyl)-1H-indole has a molecular weight of 200.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 10198107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).