(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one

C11H15NO2 — CID 58845678

IUPAC(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one
SMILESCC1(C)OC[C@@H]2[C@@H]3[C@H](C(=O)N21)C31CC1
InChIInChI=1S/C11H15NO2/c1-10(2)12-6(5-14-10)7-8(9(12)13)11(7)3-4-11/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyGMTCQPICFSOSLR-BWZBUEFSSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds

About (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one

(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one (PubChem CID 58845678) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one
PubChem CID58845678
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one
SMILESCC1(C)OC[C@@H]2[C@@H]3[C@H](C(=O)N21)C31CC1
InChIInChI=1S/C11H15NO2/c1-10(2)12-6(5-14-10)7-8(9(12)13)11(7)3-4-11/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyGMTCQPICFSOSLR-BWZBUEFSSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one?
The IUPAC name of (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one (CID 58845678) is (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one.
What is the SMILES notation for (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one?
The canonical SMILES for (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one is CC1(C)OC[C@@H]2[C@@H]3[C@H](C(=O)N21)C31CC1.
What is the InChIKey of (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one?
The InChIKey is GMTCQPICFSOSLR-BWZBUEFSSA-N. The full InChI is InChI=1S/C11H15NO2/c1-10(2)12-6(5-14-10)7-8(9(12)13)11(7)3-4-11/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one?
(1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one has a molecular weight of 193.25 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-7,7-dimethylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,1'-cyclopropane]-5-one is sourced from PubChem (CID 58845678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).