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

C10H10N2O — CID 155821690

IUPAC(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine
SMILESNC1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C10H10N2O/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H2,11,12)/t8-,9+/m1/s1
InChIKeyKZBHRJDGRXUMLF-BDAKNGLRSA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds

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

(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine (PubChem CID 155821690) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine.

Molecular Properties

Compound Name(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine
PubChem CID155821690
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine
SMILESNC1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C10H10N2O/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H2,11,12)/t8-,9+/m1/s1
InChIKeyKZBHRJDGRXUMLF-BDAKNGLRSA-N
XLogP1.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine?
The IUPAC name of (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine (CID 155821690) is (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine.
What is the SMILES notation for (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine?
The canonical SMILES for (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine is NC1=N[C@H]2c3ccccc3C[C@H]2O1.
What is the InChIKey of (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine?
The InChIKey is KZBHRJDGRXUMLF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10-12-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H2,11,12)/t8-,9+/m1/s1.
What are the key properties of (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine?
(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine has a molecular weight of 174.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-amine is sourced from PubChem (CID 155821690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).