1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C17H18N2O2 — CID 866995

IUPAC1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2/c1-10-15(12(3)20)11(2)18-16(10)17(21)19-9-8-13-6-4-5-7-14(13)19/h4-7,18H,8-9H2,1-3H3
InChIKeyBTDPJLFIHNPKPB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.04
Rot. Bonds2

About 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 866995) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID866995
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C17H18N2O2/c1-10-15(12(3)20)11(2)18-16(10)17(21)19-9-8-13-6-4-5-7-14(13)19/h4-7,18H,8-9H2,1-3H3
InChIKeyBTDPJLFIHNPKPB-UHFFFAOYSA-N
XLogP3.04
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 866995) is 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C.
What is the InChIKey of 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is BTDPJLFIHNPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-15(12(3)20)11(2)18-16(10)17(21)19-9-8-13-6-4-5-7-14(13)19/h4-7,18H,8-9H2,1-3H3.
What are the key properties of 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 282.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 866995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).