[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine

C15H21N3O — CID 117402429

IUPAC[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c2cc[nH]c12
InChIInChI=1S/C15H21N3O/c1-18-9-10(8-16)7-13(18)11-3-4-14(19-2)15-12(11)5-6-17-15/h3-6,10,13,17H,7-9,16H2,1-2H3
InChIKeyVWOLUSHKCWRZTI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

About [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117402429) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117402429
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)CN2C)c2cc[nH]c12
InChIInChI=1S/C15H21N3O/c1-18-9-10(8-16)7-13(18)11-3-4-14(19-2)15-12(11)5-6-17-15/h3-6,10,13,17H,7-9,16H2,1-2H3
InChIKeyVWOLUSHKCWRZTI-UHFFFAOYSA-N
XLogP2.13
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117402429) is [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1ccc(C2CC(CN)CN2C)c2cc[nH]c12.
What is the InChIKey of [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VWOLUSHKCWRZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-9-10(8-16)7-13(18)11-3-4-14(19-2)15-12(11)5-6-17-15/h3-6,10,13,17H,7-9,16H2,1-2H3.
What are the key properties of [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117402429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).