(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one

C10H16N2O2 — CID 129231209

IUPAC(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one
SMILESCC(C)N1C[C@H]2CC3OC(=O)N[C@H]2[C@@H]31
InChIInChI=1S/C10H16N2O2/c1-5(2)12-4-6-3-7-9(12)8(6)11-10(13)14-7/h5-9H,3-4H2,1-2H3,(H,11,13)/t6-,7?,8-,9-/m1/s1
InChIKeyPALZWGINSSJUCI-CWWFFFCGSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds1

About (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one

(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one (PubChem CID 129231209) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one.

Molecular Properties

Compound Name(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one
PubChem CID129231209
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one
SMILESCC(C)N1C[C@H]2CC3OC(=O)N[C@H]2[C@@H]31
InChIInChI=1S/C10H16N2O2/c1-5(2)12-4-6-3-7-9(12)8(6)11-10(13)14-7/h5-9H,3-4H2,1-2H3,(H,11,13)/t6-,7?,8-,9-/m1/s1
InChIKeyPALZWGINSSJUCI-CWWFFFCGSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one?
The IUPAC name of (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one (CID 129231209) is (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one.
What is the SMILES notation for (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one?
The canonical SMILES for (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one is CC(C)N1C[C@H]2CC3OC(=O)N[C@H]2[C@@H]31.
What is the InChIKey of (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one?
The InChIKey is PALZWGINSSJUCI-CWWFFFCGSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5(2)12-4-6-3-7-9(12)8(6)11-10(13)14-7/h5-9H,3-4H2,1-2H3,(H,11,13)/t6-,7?,8-,9-/m1/s1.
What are the key properties of (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one?
(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one is sourced from PubChem (CID 129231209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).