3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one

C19H28N4O — CID 135126719

IUPAC3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one
SMILESC=CCN1C(=C)N(CC=C)C2(C)N(CC=C)C(=O)N(CC=C)C12C
InChIInChI=1S/C19H28N4O/c1-8-12-20-16(5)21(13-9-2)19(7)18(20,6)22(14-10-3)17(24)23(19)15-11-4/h8-11H,1-5,12-15H2,6-7H3
InChIKeyUAUXBESVGUJRGK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.99
Rot. Bonds8

About 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one

3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one (PubChem CID 135126719) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one.

Molecular Properties

Compound Name3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one
PubChem CID135126719
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one
SMILESC=CCN1C(=C)N(CC=C)C2(C)N(CC=C)C(=O)N(CC=C)C12C
InChIInChI=1S/C19H28N4O/c1-8-12-20-16(5)21(13-9-2)19(7)18(20,6)22(14-10-3)17(24)23(19)15-11-4/h8-11H,1-5,12-15H2,6-7H3
InChIKeyUAUXBESVGUJRGK-UHFFFAOYSA-N
XLogP2.99
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3a,6a-dimethyl-3,4,6-tris(prop-2-enyl)-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 122583271
3a-methyl-1,3,4,6-tetrakis(prop-2-enyl)-6aH-imidazo[4,5-d]imidazole-2,5-dione
CID 122583244
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
CID 59116103
4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one
CID 45088285
4,4-dimethyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 71380521
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 143077874
1,1,4,7-tetramethyl-3-methylidene-2-prop-2-enylisoindole;hydroiodide
CID 70285797
3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one
CID 24870090
5,5-dimethyl-1-prop-2-enylpyrazolidin-3-one
CID 14812552
3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64902390
1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione
CID 67612075

Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one?
The IUPAC name of 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one (CID 135126719) is 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one.
What is the SMILES notation for 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one?
The canonical SMILES for 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one is C=CCN1C(=C)N(CC=C)C2(C)N(CC=C)C(=O)N(CC=C)C12C.
What is the InChIKey of 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one?
The InChIKey is UAUXBESVGUJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-8-12-20-16(5)21(13-9-2)19(7)18(20,6)22(14-10-3)17(24)23(19)15-11-4/h8-11H,1-5,12-15H2,6-7H3.
What are the key properties of 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one?
3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one has a molecular weight of 328.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one is sourced from PubChem (CID 135126719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).