3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

C16H20N2O — CID 53014590

IUPAC3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1ccc2cc(CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C16H20N2O/c1-17-11-8-14-12-13(4-6-15(14)17)5-7-16(19)18-9-2-3-10-18/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3
InChIKeyHZHGXUOWXABGCJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds3

About 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 53014590) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID53014590
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1ccc2cc(CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C16H20N2O/c1-17-11-8-14-12-13(4-6-15(14)17)5-7-16(19)18-9-2-3-10-18/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3
InChIKeyHZHGXUOWXABGCJ-UHFFFAOYSA-N
XLogP2.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 53014590) is 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is Cn1ccc2cc(CCC(=O)N3CCCC3)ccc21.
What is the InChIKey of 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HZHGXUOWXABGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-11-8-14-12-13(4-6-15(14)17)5-7-16(19)18-9-2-3-10-18/h4,6,8,11-12H,2-3,5,7,9-10H2,1H3.
What are the key properties of 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 53014590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).