(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione

C7H10N2O2 — CID 10464529

IUPAC(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESC[C@H]1C(=O)NC2CCC(=O)N21
InChIInChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11)/t4-,5?/m0/s1
InChIKeyBMNZZISUHSFNQX-ROLXFIACSA-N
MW154.17 g/mol
LogP-0.55
Rot. Bonds

About (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione

(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10464529) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10464529
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESC[C@H]1C(=O)NC2CCC(=O)N21
InChIInChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11)/t4-,5?/m0/s1
InChIKeyBMNZZISUHSFNQX-ROLXFIACSA-N
XLogP-0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione (CID 10464529) is (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione is C[C@H]1C(=O)NC2CCC(=O)N21.
What is the InChIKey of (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is BMNZZISUHSFNQX-ROLXFIACSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11)/t4-,5?/m0/s1.
What are the key properties of (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
(3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10464529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).