(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one

C6H10N2O — CID 119094860

IUPAC(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
SMILESO=C1NC[C@H]2CCCN12
InChIInChI=1S/C6H10N2O/c9-6-7-4-5-2-1-3-8(5)6/h5H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyMJUFUPGSOJMUNB-RXMQYKEDSA-N
MW126.16 g/mol
LogP0.17
Rot. Bonds

About (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one

(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 119094860) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID119094860
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
SMILESO=C1NC[C@H]2CCCN12
InChIInChI=1S/C6H10N2O/c9-6-7-4-5-2-1-3-8(5)6/h5H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyMJUFUPGSOJMUNB-RXMQYKEDSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one (CID 119094860) is (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one is O=C1NC[C@H]2CCCN12.
What is the InChIKey of (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is MJUFUPGSOJMUNB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-7-4-5-2-1-3-8(5)6/h5H,1-4H2,(H,7,9)/t5-/m1/s1.
What are the key properties of (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one?
(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 126.16 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 119094860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).