2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone

C19H17NO — CID 106892551

IUPAC2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C19H17NO/c1-20-12-17(16-8-4-5-9-18(16)20)19(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3
InChIKeyJPPJWAPWZCBARU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.78
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone

2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone (PubChem CID 106892551) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
PubChem CID106892551
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)C2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C19H17NO/c1-20-12-17(16-8-4-5-9-18(16)20)19(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3
InChIKeyJPPJWAPWZCBARU-UHFFFAOYSA-N
XLogP3.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-methylindole-3-carbothioic S-acid
CID 116918837
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone (CID 106892551) is 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)C2Cc3ccccc3C2)c2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone?
The InChIKey is JPPJWAPWZCBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-20-12-17(16-8-4-5-9-18(16)20)19(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone?
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 106892551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).