6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C15H18N2O — CID 116993513

IUPAC6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(C3CCCN3)cc3c2N1CC3
InChIInChI=1S/C15H18N2O/c18-14-4-3-10-8-12(13-2-1-6-16-13)9-11-5-7-17(14)15(10)11/h8-9,13,16H,1-7H2
InChIKeyXZWUCPQVKRVYDT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.95
Rot. Bonds1

About 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 116993513) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID116993513
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(C3CCCN3)cc3c2N1CC3
InChIInChI=1S/C15H18N2O/c18-14-4-3-10-8-12(13-2-1-6-16-13)9-11-5-7-17(14)15(10)11/h8-9,13,16H,1-7H2
InChIKeyXZWUCPQVKRVYDT-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993299
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921
6-(aminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 82506343
1-methyl-7-piperidin-2-yl-3,4-dihydroquinolin-2-one
CID 117363068
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336462
4-fluoro-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
CID 7526330
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
7-(2-sulfanylethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993171
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 116993513) is 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is O=C1CCc2cc(C3CCCN3)cc3c2N1CC3.
What is the InChIKey of 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is XZWUCPQVKRVYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-14-4-3-10-8-12(13-2-1-6-16-13)9-11-5-7-17(14)15(10)11/h8-9,13,16H,1-7H2.
What are the key properties of 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 242.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 116993513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).