5-methoxy-7-pyrrolidin-1-yl-1H-indole

C13H16N2O — CID 168513782

IUPAC5-methoxy-7-pyrrolidin-1-yl-1H-indole
SMILESCOc1cc(N2CCCC2)c2[nH]ccc2c1
InChIInChI=1S/C13H16N2O/c1-16-11-8-10-4-5-14-13(10)12(9-11)15-6-2-3-7-15/h4-5,8-9,14H,2-3,6-7H2,1H3
InChIKeyDEPBVDKCMTVCPF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.78
Rot. Bonds2

About 5-methoxy-7-pyrrolidin-1-yl-1H-indole

5-methoxy-7-pyrrolidin-1-yl-1H-indole (PubChem CID 168513782) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methoxy-7-pyrrolidin-1-yl-1H-indole.

Molecular Properties

Compound Name5-methoxy-7-pyrrolidin-1-yl-1H-indole
PubChem CID168513782
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methoxy-7-pyrrolidin-1-yl-1H-indole
SMILESCOc1cc(N2CCCC2)c2[nH]ccc2c1
InChIInChI=1S/C13H16N2O/c1-16-11-8-10-4-5-14-13(10)12(9-11)15-6-2-3-7-15/h4-5,8-9,14H,2-3,6-7H2,1H3
InChIKeyDEPBVDKCMTVCPF-UHFFFAOYSA-N
XLogP2.78
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-pyrrolidin-1-yl-1H-indole?
The IUPAC name of 5-methoxy-7-pyrrolidin-1-yl-1H-indole (CID 168513782) is 5-methoxy-7-pyrrolidin-1-yl-1H-indole.
What is the SMILES notation for 5-methoxy-7-pyrrolidin-1-yl-1H-indole?
The canonical SMILES for 5-methoxy-7-pyrrolidin-1-yl-1H-indole is COc1cc(N2CCCC2)c2[nH]ccc2c1.
What is the InChIKey of 5-methoxy-7-pyrrolidin-1-yl-1H-indole?
The InChIKey is DEPBVDKCMTVCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-11-8-10-4-5-14-13(10)12(9-11)15-6-2-3-7-15/h4-5,8-9,14H,2-3,6-7H2,1H3.
What are the key properties of 5-methoxy-7-pyrrolidin-1-yl-1H-indole?
5-methoxy-7-pyrrolidin-1-yl-1H-indole has a molecular weight of 216.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-pyrrolidin-1-yl-1H-indole is sourced from PubChem (CID 168513782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).