(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

C10H10N2O2 — CID 11127070

IUPAC(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESNN1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C10H10N2O2/c11-12-9-7-4-2-1-3-6(7)5-8(9)14-10(12)13/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyMECFKICKTWZJDD-BDAKNGLRSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds

About (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (PubChem CID 11127070) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
PubChem CID11127070
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESNN1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C10H10N2O2/c11-12-9-7-4-2-1-3-6(7)5-8(9)14-10(12)13/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyMECFKICKTWZJDD-BDAKNGLRSA-N
XLogP0.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (CID 11127070) is (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is NN1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21.
What is the InChIKey of (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is MECFKICKTWZJDD-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-12-9-7-4-2-1-3-6(7)5-8(9)14-10(12)13/h1-4,8-9H,5,11H2/t8-,9+/m1/s1.
What are the key properties of (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 11127070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).