(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone

C17H17NO — CID 20793206

IUPAC(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C17H17NO/c1-12-3-6-14(7-4-12)17(19)18-10-9-15-11-13(2)5-8-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyFNETZAZAGSGFOL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.51
Rot. Bonds1

About (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone

(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone (PubChem CID 20793206) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
PubChem CID20793206
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C17H17NO/c1-12-3-6-14(7-4-12)17(19)18-10-9-15-11-13(2)5-8-16(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyFNETZAZAGSGFOL-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
[4-(difluoromethylsulfonyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083698
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone (CID 20793206) is (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3cc(C)ccc32)cc1.
What is the InChIKey of (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is FNETZAZAGSGFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-3-6-14(7-4-12)17(19)18-10-9-15-11-13(2)5-8-16(15)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone?
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 20793206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).