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

C12H17NO — CID 159834618

IUPACmethane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESC.CC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C11H13NO.CH4/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;/h3-4,7H,5-6H2,1-2H3;1H4
InChIKeyNNXAHFICBDVUIN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.54
Rot. Bonds

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

methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 159834618) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Namemethane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID159834618
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemethane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESC.CC(=O)N1CCc2cc(C)ccc21
InChIInChI=1S/C11H13NO.CH4/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;/h3-4,7H,5-6H2,1-2H3;1H4
InChIKeyNNXAHFICBDVUIN-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methane;1-(5-methyl-2,3-dihydroindol-1-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

(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
(4-methylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526945
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022

Frequently Asked Questions

What is the IUPAC name of methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone (CID 159834618) is methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone is C.CC(=O)N1CCc2cc(C)ccc21.
What is the InChIKey of methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NNXAHFICBDVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.CH4/c1-8-3-4-11-10(7-8)5-6-12(11)9(2)13;/h3-4,7H,5-6H2,1-2H3;1H4.
What are the key properties of methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone?
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 159834618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).