ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole

C18H21N — CID 156800164

IUPACethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
SMILESC=C1Nc2ccc(C)cc2C1c1ccccc1.CC
InChIInChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)16(12(2)17-15)13-6-4-3-5-7-13;1-2/h3-10,16-17H,2H2,1H3;1-2H3
InChIKeySEPZJAPRHXBGSC-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.09
Rot. Bonds1

About ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole

ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole (PubChem CID 156800164) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole.

Molecular Properties

Compound Nameethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
PubChem CID156800164
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Nameethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
SMILESC=C1Nc2ccc(C)cc2C1c1ccccc1.CC
InChIInChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)16(12(2)17-15)13-6-4-3-5-7-13;1-2/h3-10,16-17H,2H2,1H3;1-2H3
InChIKeySEPZJAPRHXBGSC-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800165
(5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 766518
2,7-dimethyl-9-phenyl-9H-xanthene
CID 22643678
(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
CID 7057699
(2R,3R,5S)-3-hydroxy-2-(hydroxymethyl)-7-methyl-5-phenyl-2,3,5,10-tetrahydropyrano[2,3-b]quinolin-4-one
CID 100983187
diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
CID 6943841
(5R)-4-benzoyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 1070338
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
2,5-dimethyl-1-phenyl-1H-indene
CID 173186608
[(2S,4R)-3,3,6-trimethyl-2-phenyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 6934485
(5R)-7-methyl-4-(3-methylbenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 6990461
(4S,5R)-5-benzoyl-4-(2,5-dimethylphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2392471

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole?
The IUPAC name of ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole (CID 156800164) is ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole.
What is the SMILES notation for ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole?
The canonical SMILES for ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole is C=C1Nc2ccc(C)cc2C1c1ccccc1.CC.
What is the InChIKey of ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole?
The InChIKey is SEPZJAPRHXBGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)16(12(2)17-15)13-6-4-3-5-7-13;1-2/h3-10,16-17H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole?
ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole has a molecular weight of 251.37 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole is sourced from PubChem (CID 156800164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).