2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone

C19H19NO — CID 113198266

IUPAC2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3
InChIKeyVDMOJVFHFITEMA-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.62
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone

2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone (PubChem CID 113198266) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
PubChem CID113198266
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3
InChIKeyVDMOJVFHFITEMA-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4305804
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 113198898
2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
CID 2950902
(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 114455613
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone (CID 113198266) is 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone is Cc1ccc(C2(C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone?
The InChIKey is VDMOJVFHFITEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone?
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 113198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).