ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone

C13H19NO — CID 91428758

IUPACethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C11H13NO.C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyHFUDEZKSPFIVFV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds1

About ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone

ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone (PubChem CID 91428758) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
PubChem CID91428758
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C11H13NO.C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyHFUDEZKSPFIVFV-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
N-(2-hydroxyethyl)-N,1-dimethyl-2,3-dihydroindole-5-carboxamide
CID 110485469
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone?
The IUPAC name of ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone (CID 91428758) is ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone.
What is the SMILES notation for ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone?
The canonical SMILES for ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone is CC.CC(=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone?
The InChIKey is HFUDEZKSPFIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-8(13)9-3-4-11-10(7-9)5-6-12(11)2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone?
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone is sourced from PubChem (CID 91428758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).