7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

C14H22N4O3 — CID 142041977

IUPAC7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CN(C)C(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C14H22N4O3/c1-10-7-15-12(19)9-17(2)13(20)8-16-14(21)11-5-3-4-6-18(10)11/h11H,1,3-9H2,2H3,(H,15,19)(H,16,21)
InChIKeyULFKYKVULQEZHJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.94
Rot. Bonds

About 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (PubChem CID 142041977) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.

Molecular Properties

Compound Name7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
PubChem CID142041977
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CN(C)C(=O)CNC(=O)C2CCCCN12
InChIInChI=1S/C14H22N4O3/c1-10-7-15-12(19)9-17(2)13(20)8-16-14(21)11-5-3-4-6-18(10)11/h11H,1,3-9H2,2H3,(H,15,19)(H,16,21)
InChIKeyULFKYKVULQEZHJ-UHFFFAOYSA-N
XLogP-0.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The IUPAC name of 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (CID 142041977) is 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.
What is the SMILES notation for 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The canonical SMILES for 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is C=C1CNC(=O)CN(C)C(=O)CNC(=O)C2CCCCN12.
What is the InChIKey of 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The InChIKey is ULFKYKVULQEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-7-15-12(19)9-17(2)13(20)8-16-14(21)11-5-3-4-6-18(10)11/h11H,1,3-9H2,2H3,(H,15,19)(H,16,21).
What are the key properties of 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione has a molecular weight of 294.35 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is sourced from PubChem (CID 142041977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).