3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

C14H16N2O2 — CID 14948704

IUPAC3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23C4C1C1C4(C)C12C(=O)N(C)C(=O)N3C
InChIInChI=1S/C14H16N2O2/c1-6-5-13-8-7(6)9-12(8,2)14(9,13)10(17)15(3)11(18)16(13)4/h7-9H,1,5H2,2-4H3
InChIKeyJVRJSJKXAJFFDP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.09
Rot. Bonds

About 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (PubChem CID 14948704) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
PubChem CID14948704
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23C4C1C1C4(C)C12C(=O)N(C)C(=O)N3C
InChIInChI=1S/C14H16N2O2/c1-6-5-13-8-7(6)9-12(8,2)14(9,13)10(17)15(3)11(18)16(13)4/h7-9H,1,5H2,2-4H3
InChIKeyJVRJSJKXAJFFDP-UHFFFAOYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 102152620
1,3,3-trimethyl-5-methylidenepyrrolidin-2-one
CID 132820770
5,5-diethyl-1,3-dimethylimidazolidine-2,4-dione
CID 134305285
1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione
CID 58248297
(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
CID 102238626
(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
CID 132534504
2,2-dimethyl-3-methylidenecyclopentan-1-one
CID 130031210
CID 132989920
CID 132989920
6-hydroxy-1,3,5,5-tetramethyl-1,3-diazinane-2,4-dione
CID 135040297
2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile
CID 101157610
(3aS,3bR,6aR,7aS)-4,4,6a-trimethyl-3-methylidene-2,3a,3b,6,7,7a-hexahydro-1H-cyclopenta[a]pentalen-5-one
CID 71813924
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402

Frequently Asked Questions

What is the IUPAC name of 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The IUPAC name of 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (CID 14948704) is 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.
What is the SMILES notation for 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The canonical SMILES for 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is C=C1CC23C4C1C1C4(C)C12C(=O)N(C)C(=O)N3C.
What is the InChIKey of 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The InChIKey is JVRJSJKXAJFFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-6-5-13-8-7(6)9-12(8,2)14(9,13)10(17)15(3)11(18)16(13)4/h7-9H,1,5H2,2-4H3.
What are the key properties of 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione has a molecular weight of 244.29 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is sourced from PubChem (CID 14948704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).