(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one

C10H16N2O3 — CID 10512718

IUPAC(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
SMILESCCCCn1c(O)c2n(c1=O)C[C@H](O)C2
InChIInChI=1S/C10H16N2O3/c1-2-3-4-11-9(14)8-5-7(13)6-12(8)10(11)15/h7,13-14H,2-6H2,1H3/t7-/m1/s1
InChIKeyUDXNQWUWZNMVDI-SSDOTTSWSA-N
MW212.25 g/mol
LogP0.07
Rot. Bonds3

About (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one

(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 10512718) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID10512718
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
SMILESCCCCn1c(O)c2n(c1=O)C[C@H](O)C2
InChIInChI=1S/C10H16N2O3/c1-2-3-4-11-9(14)8-5-7(13)6-12(8)10(11)15/h7,13-14H,2-6H2,1H3/t7-/m1/s1
InChIKeyUDXNQWUWZNMVDI-SSDOTTSWSA-N
XLogP0.07
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one (CID 10512718) is (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one is CCCCn1c(O)c2n(c1=O)C[C@H](O)C2.
What is the InChIKey of (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is UDXNQWUWZNMVDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-11-9(14)8-5-7(13)6-12(8)10(11)15/h7,13-14H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 10512718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).