1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one

C20H21NO2 — CID 118258218

IUPAC1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one
SMILESO=C1C2CC3CC4(C(=O)N5CCc6ccccc65)CC1C2(C3)C4
InChIInChI=1S/C20H21NO2/c22-17-14-7-12-8-19(10-15(17)20(14,9-12)11-19)18(23)21-6-5-13-3-1-2-4-16(13)21/h1-4,12,14-15H,5-11H2
InChIKeyAFZKZHBNLAAAIC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.97
Rot. Bonds1

About 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one

1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one (PubChem CID 118258218) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one
PubChem CID118258218
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one
SMILESO=C1C2CC3CC4(C(=O)N5CCc6ccccc65)CC1C2(C3)C4
InChIInChI=1S/C20H21NO2/c22-17-14-7-12-8-19(10-15(17)20(14,9-12)11-19)18(23)21-6-5-13-3-1-2-4-16(13)21/h1-4,12,14-15H,5-11H2
InChIKeyAFZKZHBNLAAAIC-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one with MolForge

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Related Compounds

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1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
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[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
CID 42901597
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CID 6543989
4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
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CID 75406097
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CID 741114
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
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2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one (CID 118258218) is 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one is O=C1C2CC3CC4(C(=O)N5CCc6ccccc65)CC1C2(C3)C4.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one?
The InChIKey is AFZKZHBNLAAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-17-14-7-12-8-19(10-15(17)20(14,9-12)11-19)18(23)21-6-5-13-3-1-2-4-16(13)21/h1-4,12,14-15H,5-11H2.
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one?
1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one has a molecular weight of 307.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one is sourced from PubChem (CID 118258218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).