(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

C8H12N2O2 — CID 10241189

IUPAC(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESC[C@H]1C(=O)NC2(C)CCC(=O)N12
InChIInChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12)/t5-,8?/m0/s1
InChIKeyMHLSDODDWJCESD-NTFOPCPOSA-N
MW168.20 g/mol
LogP-0.16
Rot. Bonds

About (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10241189) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10241189
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESC[C@H]1C(=O)NC2(C)CCC(=O)N12
InChIInChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12)/t5-,8?/m0/s1
InChIKeyMHLSDODDWJCESD-NTFOPCPOSA-N
XLogP-0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 10241189) is (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is C[C@H]1C(=O)NC2(C)CCC(=O)N12.
What is the InChIKey of (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is MHLSDODDWJCESD-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(12)9-8(2)4-3-6(11)10(5)8/h5H,3-4H2,1-2H3,(H,9,12)/t5-,8?/m0/s1.
What are the key properties of (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
(3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7a-dimethyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10241189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).