(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C8H15N3O2 — CID 176916712

IUPAC(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESNCCON1C[C@@H]2CCCN2C1=O
InChIInChI=1S/C8H15N3O2/c9-3-5-13-11-6-7-2-1-4-10(7)8(11)12/h7H,1-6,9H2/t7-/m0/s1
InChIKeyHACHPFZEEOCGSJ-ZETCQYMHSA-N
MW185.23 g/mol
LogP-0.22
Rot. Bonds3

About (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 176916712) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID176916712
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESNCCON1C[C@@H]2CCCN2C1=O
InChIInChI=1S/C8H15N3O2/c9-3-5-13-11-6-7-2-1-4-10(7)8(11)12/h7H,1-6,9H2/t7-/m0/s1
InChIKeyHACHPFZEEOCGSJ-ZETCQYMHSA-N
XLogP-0.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 176916712) is (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is NCCON1C[C@@H]2CCCN2C1=O.
What is the InChIKey of (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is HACHPFZEEOCGSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-3-5-13-11-6-7-2-1-4-10(7)8(11)12/h7H,1-6,9H2/t7-/m0/s1.
What are the key properties of (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
(7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 185.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-2-(2-aminoethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 176916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).