10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one

C13H19NO — CID 118943952

IUPAC10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one
SMILESCN1C(=O)C2C3CC(C4CCCCC43)C21
InChIInChI=1S/C13H19NO/c1-14-12-10-6-9(11(12)13(14)15)7-4-2-3-5-8(7)10/h7-12H,2-6H2,1H3
InChIKeyWEFYFGBMSAJNNM-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.90
Rot. Bonds

About 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one

10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one (PubChem CID 118943952) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one.

Molecular Properties

Compound Name10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one
PubChem CID118943952
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one
SMILESCN1C(=O)C2C3CC(C4CCCCC43)C21
InChIInChI=1S/C13H19NO/c1-14-12-10-6-9(11(12)13(14)15)7-4-2-3-5-8(7)10/h7-12H,2-6H2,1H3
InChIKeyWEFYFGBMSAJNNM-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6S,8S,10S)-4-methyl-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione;(2S,6R,8R,10S)-4-methyl-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 160896047
(10-oxo-9-azatetracyclo[5.4.1.02,6.08,11]dodecan-9-yl) 2,2-dimethylbutanoate
CID 118516028
(1S,2R,7R,10R,11R)-10-amino-8-methyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
CID 125495647
tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 58165480
1-(2-bicyclo[1.1.0]butanyl)-2-methyldiaziridin-3-one
CID 166785658
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
CID 167951497
3-tert-butyl-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 118424452
(4aS,8aS)-2,3-dimethyl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-dione
CID 131855842
(3aS,4S,7S,7aR)-2,4-dimethyl-7-[(1R,2R)-2-methylcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10564344
3,4,4a,4b,5,6,7,8,8a,8b-decahydro-2H-biphenylen-1-one
CID 130029702
tricyclo[4.3.1.02,9]decan-8-one
CID 123511592
2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
CID 58264618

Frequently Asked Questions

What is the IUPAC name of 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one?
The IUPAC name of 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one (CID 118943952) is 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one.
What is the SMILES notation for 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one?
The canonical SMILES for 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one is CN1C(=O)C2C3CC(C4CCCCC43)C21.
What is the InChIKey of 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one?
The InChIKey is WEFYFGBMSAJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-12-10-6-9(11(12)13(14)15)7-4-2-3-5-8(7)10/h7-12H,2-6H2,1H3.
What are the key properties of 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one?
10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one has a molecular weight of 205.30 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10-azatetracyclo[6.4.1.02,7.09,12]tridecan-11-one is sourced from PubChem (CID 118943952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).