(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C8H14N4O2 — CID 938527

IUPAC(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCN1C(=O)N(C)[C@@H]2NC(=O)N[C@H]21
InChIInChI=1S/C8H14N4O2/c1-3-4-12-6-5(9-7(13)10-6)11(2)8(12)14/h5-6H,3-4H2,1-2H3,(H2,9,10,13)/t5-,6-/m0/s1
InChIKeyNRDOJDNBWCJYHJ-WDSKDSINSA-N
MW198.23 g/mol
LogP-0.27
Rot. Bonds2

About (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 938527) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID938527
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCN1C(=O)N(C)[C@@H]2NC(=O)N[C@H]21
InChIInChI=1S/C8H14N4O2/c1-3-4-12-6-5(9-7(13)10-6)11(2)8(12)14/h5-6H,3-4H2,1-2H3,(H2,9,10,13)/t5-,6-/m0/s1
InChIKeyNRDOJDNBWCJYHJ-WDSKDSINSA-N
XLogP-0.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 5150697
(3aR,6aS)-4-ethyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 702901
4-butyl-5-sulfanylidene-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-2-one
CID 130008289
(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 698690
(3aS,6aS)-4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 125479840
2-cyclopentyl-3,5-dipropylimidazolidin-4-one
CID 83242252
(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 783880
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
4-(2-methylbutyl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 18339352
(3aS,6aR)-4-[2-[(3aS,6aS)-1,3,6-trimethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-4-yl]ethyl]-1,3,6-trimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 124894058
2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 56690032
(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 95987832

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 938527) is (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CCCN1C(=O)N(C)[C@@H]2NC(=O)N[C@H]21.
What is the InChIKey of (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is NRDOJDNBWCJYHJ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-12-6-5(9-7(13)10-6)11(2)8(12)14/h5-6H,3-4H2,1-2H3,(H2,9,10,13)/t5-,6-/m0/s1.
What are the key properties of (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 938527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).