(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one

C12H19NO2 — CID 11805938

IUPAC(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one
SMILESC[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1CO2
InChIInChI=1S/C12H19NO2/c1-12-7-6-11(14)13(12)10-5-3-2-4-9(10)8-15-12/h9-10H,2-8H2,1H3/t9-,10-,12-/m1/s1
InChIKeySMFWWXZQQXBAAK-CKYFFXLPSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds

About (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one

(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one (PubChem CID 11805938) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one.

Molecular Properties

Compound Name(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one
PubChem CID11805938
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one
SMILESC[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1CO2
InChIInChI=1S/C12H19NO2/c1-12-7-6-11(14)13(12)10-5-3-2-4-9(10)8-15-12/h9-10H,2-8H2,1H3/t9-,10-,12-/m1/s1
InChIKeySMFWWXZQQXBAAK-CKYFFXLPSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one with MolForge

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Related Compounds

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CID 11127475
(3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 928831
(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 23322316
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CID 41286270
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CID 139190830
1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one
CID 166733009
(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362456
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CID 72942213
(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70891075
1-acetyl-5,5-dimethylpyrrolidin-2-one
CID 144885705
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CID 11096145

Frequently Asked Questions

What is the IUPAC name of (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one?
The IUPAC name of (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one (CID 11805938) is (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one.
What is the SMILES notation for (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one?
The canonical SMILES for (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one is C[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1CO2.
What is the InChIKey of (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one?
The InChIKey is SMFWWXZQQXBAAK-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12-7-6-11(14)13(12)10-5-3-2-4-9(10)8-15-12/h9-10H,2-8H2,1H3/t9-,10-,12-/m1/s1.
What are the key properties of (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one?
(1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,9S)-6-methyl-7-oxa-2-azatricyclo[7.4.0.02,6]tridecan-3-one is sourced from PubChem (CID 11805938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).