10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one

C21H18N2O2 — CID 100769427

IUPAC10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cn2c3c(cccc3c1=O)CC2
InChIInChI=1S/C21H18N2O2/c1-13-11-15-5-2-3-8-18(15)23(13)21(25)17-12-22-10-9-14-6-4-7-16(19(14)22)20(17)24/h2-8,12-13H,9-11H2,1H3/t13-/m1/s1
InChIKeyVEHUYVYQZQFQSA-CYBMUJFWSA-N
MW330.39 g/mol
LogP3.15
Rot. Bonds1

About 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one

10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one (PubChem CID 100769427) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one.

Molecular Properties

Compound Name10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
PubChem CID100769427
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cn2c3c(cccc3c1=O)CC2
InChIInChI=1S/C21H18N2O2/c1-13-11-15-5-2-3-8-18(15)23(13)21(25)17-12-22-10-9-14-6-4-7-16(19(14)22)20(17)24/h2-8,12-13H,9-11H2,1H3/t13-/m1/s1
InChIKeyVEHUYVYQZQFQSA-CYBMUJFWSA-N
XLogP3.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-(furan-2-yl)azepane-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one
CID 70783296
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one
CID 30132708
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
methyl (2R)-4-(4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100769319

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one?
The IUPAC name of 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one (CID 100769427) is 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one.
What is the SMILES notation for 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one?
The canonical SMILES for 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one is C[C@@H]1Cc2ccccc2N1C(=O)c1cn2c3c(cccc3c1=O)CC2.
What is the InChIKey of 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one?
The InChIKey is VEHUYVYQZQFQSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-11-15-5-2-3-8-18(15)23(13)21(25)17-12-22-10-9-14-6-4-7-16(19(14)22)20(17)24/h2-8,12-13H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one?
10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one has a molecular weight of 330.39 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one is sourced from PubChem (CID 100769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).