(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C8H14N2O2 — CID 170767792

IUPAC(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCCN[C@H]1C[C@H]2COC(=O)N2C1
InChIInChI=1S/C8H14N2O2/c1-2-9-6-3-7-5-12-8(11)10(7)4-6/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyNRSXQRKQYGYIPG-BQBZGAKWSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds2

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

(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 170767792) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID170767792
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCCN[C@H]1C[C@H]2COC(=O)N2C1
InChIInChI=1S/C8H14N2O2/c1-2-9-6-3-7-5-12-8(11)10(7)4-6/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyNRSXQRKQYGYIPG-BQBZGAKWSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 170767792) is (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is CCN[C@H]1C[C@H]2COC(=O)N2C1.
What is the InChIKey of (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is NRSXQRKQYGYIPG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-9-6-3-7-5-12-8(11)10(7)4-6/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
(6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7aS)-6-(ethylamino)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 170767792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).