2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C17H17ClN2O — CID 62025600

IUPAC2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2ccc3ccc(Cl)cc32)c(C)n1C
InChIInChI=1S/C17H17ClN2O/c1-11-8-15(12(2)19(11)3)17(21)10-20-7-6-13-4-5-14(18)9-16(13)20/h4-9H,10H2,1-3H3
InChIKeyFMSZZFFWFLEXBZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.13
Rot. Bonds3

About 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 62025600) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID62025600
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2ccc3ccc(Cl)cc32)c(C)n1C
InChIInChI=1S/C17H17ClN2O/c1-11-8-15(12(2)19(11)3)17(21)10-20-7-6-13-4-5-14(18)9-16(13)20/h4-9H,10H2,1-3H3
InChIKeyFMSZZFFWFLEXBZ-UHFFFAOYSA-N
XLogP4.13
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 62025600) is 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)Cn2ccc3ccc(Cl)cc32)c(C)n1C.
What is the InChIKey of 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is FMSZZFFWFLEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-8-15(12(2)19(11)3)17(21)10-20-7-6-13-4-5-14(18)9-16(13)20/h4-9H,10H2,1-3H3.
What are the key properties of 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 300.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62025600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).