10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane

C17H29NO — CID 142181179

IUPAC10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane
SMILESCC.CC.CC.O=C1NCC2CC1c1ccccc12
InChIInChI=1S/C11H11NO.3C2H6/c13-11-10-5-7(6-12-11)8-3-1-2-4-9(8)10;3*1-2/h1-4,7,10H,5-6H2,(H,12,13);3*1-2H3
InChIKeyVOGGCIGQDRNCDT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.47
Rot. Bonds

About 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane

10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane (PubChem CID 142181179) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane.

Molecular Properties

Compound Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane
PubChem CID142181179
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane
SMILESCC.CC.CC.O=C1NCC2CC1c1ccccc12
InChIInChI=1S/C11H11NO.3C2H6/c13-11-10-5-7(6-12-11)8-3-1-2-4-9(8)10;3*1-2/h1-4,7,10H,5-6H2,(H,12,13);3*1-2H3
InChIKeyVOGGCIGQDRNCDT-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane with MolForge

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Related Compounds

tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
(3S,5R)-3-(2-aminophenyl)-5-methylpyrrolidin-2-one
CID 97355958
(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
CID 98557806
5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 85408520
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
(1S,8S)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
CID 124539739
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
3-(2-cyclopropylphenyl)piperazin-2-one
CID 79982593
3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453

Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane?
The IUPAC name of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane (CID 142181179) is 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane.
What is the SMILES notation for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane?
The canonical SMILES for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane is CC.CC.CC.O=C1NCC2CC1c1ccccc12.
What is the InChIKey of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane?
The InChIKey is VOGGCIGQDRNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.3C2H6/c13-11-10-5-7(6-12-11)8-3-1-2-4-9(8)10;3*1-2/h1-4,7,10H,5-6H2,(H,12,13);3*1-2H3.
What are the key properties of 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane?
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane has a molecular weight of 263.43 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane is sourced from PubChem (CID 142181179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).