3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one

C19H23NO2 — CID 42905949

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C19H23NO2/c1-12-9-13-5-2-3-8-17(13)20(12)19(22)16-10-14-6-4-7-15(11-16)18(14)21/h2-3,5,8,12,14-16H,4,6-7,9-11H2,1H3
InChIKeySUVAWPADFGFVQY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds1

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one

3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one (PubChem CID 42905949) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
PubChem CID42905949
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESCC1Cc2ccccc2N1C(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C19H23NO2/c1-12-9-13-5-2-3-8-17(13)20(12)19(22)16-10-14-6-4-7-15(11-16)18(14)21/h2-3,5,8,12,14-16H,4,6-7,9-11H2,1H3
InChIKeySUVAWPADFGFVQY-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 124718456
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one (CID 42905949) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one is CC1Cc2ccccc2N1C(=O)C1CC2CCCC(C1)C2=O.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The InChIKey is SUVAWPADFGFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-9-13-5-2-3-8-17(13)20(12)19(22)16-10-14-6-4-7-15(11-16)18(14)21/h2-3,5,8,12,14-16H,4,6-7,9-11H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one has a molecular weight of 297.40 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 42905949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).