5-(pyrrolidin-3-ylmethyl)-1H-indole

C13H16N2 — CID 82607721

IUPAC5-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESc1cc2cc(CC3CCNC3)ccc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-13-12(4-6-15-13)8-10(1)7-11-3-5-14-9-11/h1-2,4,6,8,11,14-15H,3,5,7,9H2
InChIKeyFFNPPQDBXMLQPN-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.32
Rot. Bonds2

About 5-(pyrrolidin-3-ylmethyl)-1H-indole

5-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 82607721) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID82607721
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name5-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESc1cc2cc(CC3CCNC3)ccc2[nH]1
InChIInChI=1S/C13H16N2/c1-2-13-12(4-6-15-13)8-10(1)7-11-3-5-14-9-11/h1-2,4,6,8,11,14-15H,3,5,7,9H2
InChIKeyFFNPPQDBXMLQPN-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
CID 141128879
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
5-fluoro-6-(piperidin-3-ylmethyl)-1H-indole
CID 115003350
4-benzylpiperidine;1H-indole-5-carboximidamide
CID 160594463
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
CID 116985837
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1H-indole (CID 82607721) is 5-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 5-(pyrrolidin-3-ylmethyl)-1H-indole is c1cc2cc(CC3CCNC3)ccc2[nH]1.
What is the InChIKey of 5-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is FFNPPQDBXMLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-13-12(4-6-15-13)8-10(1)7-11-3-5-14-9-11/h1-2,4,6,8,11,14-15H,3,5,7,9H2.
What are the key properties of 5-(pyrrolidin-3-ylmethyl)-1H-indole?
5-(pyrrolidin-3-ylmethyl)-1H-indole has a molecular weight of 200.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 82607721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).