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

C13H16N2 — CID 84775916

IUPAC7-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESc1cc(CC2CCNC2)c2[nH]ccc2c1
InChIInChI=1S/C13H16N2/c1-2-11-5-7-15-13(11)12(3-1)8-10-4-6-14-9-10/h1-3,5,7,10,14-15H,4,6,8-9H2
InChIKeyRVGWYBDPYIEVLQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.32
Rot. Bonds2

About 7-(pyrrolidin-3-ylmethyl)-1H-indole

7-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 84775916) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 7-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID84775916
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name7-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESc1cc(CC2CCNC2)c2[nH]ccc2c1
InChIInChI=1S/C13H16N2/c1-2-11-5-7-15-13(11)12(3-1)8-10-4-6-14-9-10/h1-3,5,7,10,14-15H,4,6,8-9H2
InChIKeyRVGWYBDPYIEVLQ-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

N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
3-(2-naphthalen-1-ylethyl)pyrrolidine
CID 116925512
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
5-(pyrrolidin-3-ylmethyl)-1H-indole
CID 82607721
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
2-(pyrrolidin-3-ylmethyl)benzonitrile;hydrochloride
CID 45074463
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514

Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 7-(pyrrolidin-3-ylmethyl)-1H-indole (CID 84775916) is 7-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 7-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 7-(pyrrolidin-3-ylmethyl)-1H-indole is c1cc(CC2CCNC2)c2[nH]ccc2c1.
What is the InChIKey of 7-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is RVGWYBDPYIEVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-11-5-7-15-13(11)12(3-1)8-10-4-6-14-9-10/h1-3,5,7,10,14-15H,4,6,8-9H2.
What are the key properties of 7-(pyrrolidin-3-ylmethyl)-1H-indole?
7-(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 7-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84775916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).