(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

C15H18N2O — CID 84630313

IUPAC(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESCc1cc(C)c2c(C(=O)C3CCCN3)c[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)14-11(8-17-13(14)7-9)15(18)12-4-3-5-16-12/h6-8,12,16-17H,3-5H2,1-2H3
InChIKeyJWFXKPUQQKAYPW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.72
Rot. Bonds2

About (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 84630313) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID84630313
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESCc1cc(C)c2c(C(=O)C3CCCN3)c[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-9-6-10(2)14-11(8-17-13(14)7-9)15(18)12-4-3-5-16-12/h6-8,12,16-17H,3-5H2,1-2H3
InChIKeyJWFXKPUQQKAYPW-UHFFFAOYSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765620
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
N,4,6-trimethyl-1H-indole-3-carboxamide
CID 118475596
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765688
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (CID 84630313) is (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is Cc1cc(C)c2c(C(=O)C3CCCN3)c[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is JWFXKPUQQKAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-6-10(2)14-11(8-17-13(14)7-9)15(18)12-4-3-5-16-12/h6-8,12,16-17H,3-5H2,1-2H3.
What are the key properties of (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 242.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 84630313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).