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

C6H10N2O2 — CID 71743211

IUPAC(7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESNC1C[C@H]2COC(=O)N2C1
InChIInChI=1S/C6H10N2O2/c7-4-1-5-3-10-6(9)8(5)2-4/h4-5H,1-3,7H2/t4?,5-/m0/s1
InChIKeyHPLPQDXNWBGCFI-AKGZTFGVSA-N
MW142.16 g/mol
LogP-0.46
Rot. Bonds

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

(7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 71743211) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name(7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID71743211
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESNC1C[C@H]2COC(=O)N2C1
InChIInChI=1S/C6H10N2O2/c7-4-1-5-3-10-6(9)8(5)2-4/h4-5H,1-3,7H2/t4?,5-/m0/s1
InChIKeyHPLPQDXNWBGCFI-AKGZTFGVSA-N
XLogP-0.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 71743211) is (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is NC1C[C@H]2COC(=O)N2C1.
What is the InChIKey of (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is HPLPQDXNWBGCFI-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-4-1-5-3-10-6(9)8(5)2-4/h4-5H,1-3,7H2/t4?,5-/m0/s1.
What are the key properties of (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
(7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-amino-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 71743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).