(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

C13H16N2O2 — CID 7378968

IUPAC(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESCCC[C@H]1C2=C(CCCC2=O)c2onc(N)c21
InChIInChI=1S/C13H16N2O2/c1-2-4-7-10-8(5-3-6-9(10)16)12-11(7)13(14)15-17-12/h7H,2-6H2,1H3,(H2,14,15)/t7-/m0/s1
InChIKeyZUASNSWNIBVVSR-ZETCQYMHSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds2

About (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (PubChem CID 7378968) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.

Molecular Properties

Compound Name(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
PubChem CID7378968
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESCCC[C@H]1C2=C(CCCC2=O)c2onc(N)c21
InChIInChI=1S/C13H16N2O2/c1-2-4-7-10-8(5-3-6-9(10)16)12-11(7)13(14)15-17-12/h7H,2-6H2,1H3,(H2,14,15)/t7-/m0/s1
InChIKeyZUASNSWNIBVVSR-ZETCQYMHSA-N
XLogP2.66
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The IUPAC name of (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (CID 7378968) is (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.
What is the SMILES notation for (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The canonical SMILES for (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is CCC[C@H]1C2=C(CCCC2=O)c2onc(N)c21.
What is the InChIKey of (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The InChIKey is ZUASNSWNIBVVSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-4-7-10-8(5-3-6-9(10)16)12-11(7)13(14)15-17-12/h7H,2-6H2,1H3,(H2,14,15)/t7-/m0/s1.
What are the key properties of (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
(4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one has a molecular weight of 232.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-amino-4-propyl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is sourced from PubChem (CID 7378968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).