1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C17H17N3O — CID 63717325

IUPAC1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H17N3O/c21-17(13-5-6-14-12(11-13)7-9-19-14)20-10-2-4-16(20)15-3-1-8-18-15/h1,3,5-9,11,16,18-19H,2,4,10H2
InChIKeyHXSBDWNUYVANCO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.47
Rot. Bonds2

About 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 63717325) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID63717325
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H17N3O/c21-17(13-5-6-14-12(11-13)7-9-19-14)20-10-2-4-16(20)15-3-1-8-18-15/h1,3,5-9,11,16,18-19H,2,4,10H2
InChIKeyHXSBDWNUYVANCO-UHFFFAOYSA-N
XLogP3.47
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 63717325) is 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2[nH]ccc2c1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HXSBDWNUYVANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(13-5-6-14-12(11-13)7-9-19-14)20-10-2-4-16(20)15-3-1-8-18-15/h1,3,5-9,11,16,18-19H,2,4,10H2.
What are the key properties of 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63717325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).