4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C19H23NO2 — CID 2946417

IUPAC4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C
InChIInChI=1S/C19H23NO2/c1-17(2)18(3)9-10-19(17,12-15(18)21)16(22)20-11-8-13-6-4-5-7-14(13)20/h4-7H,8-12H2,1-3H3
InChIKeyXHDIKWYTUJIOND-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds1

About 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 2946417) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID2946417
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C
InChIInChI=1S/C19H23NO2/c1-17(2)18(3)9-10-19(17,12-15(18)21)16(22)20-11-8-13-6-4-5-7-14(13)20/h4-7H,8-12H2,1-3H3
InChIKeyXHDIKWYTUJIOND-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

(1R,4R)-4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6543989
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
(1S,4R)-4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7433014
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
2,3-dihydroindol-1-yl-(12,15,15-trimethyl-6-nitro-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-1-yl)methanone
CID 5170685
2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
CID 2950902
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4305804
1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl]piperidine-4-carboxylate
CID 7140364
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 2946417) is 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is XHDIKWYTUJIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-17(2)18(3)9-10-19(17,12-15(18)21)16(22)20-11-8-13-6-4-5-7-14(13)20/h4-7H,8-12H2,1-3H3.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-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 4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).