(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one

C10H15NO2 — CID 126969517

IUPAC(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
SMILESCC1(C)OC[C@@H]2C[C@@H]3C[C@H]3C(=O)N21
InChIInChI=1S/C10H15NO2/c1-10(2)11-7(5-13-10)3-6-4-8(6)9(11)12/h6-8H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyLBDBOBOIHMQPRS-GJMOJQLCSA-N
MW181.23 g/mol
LogP0.99
Rot. Bonds

About (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one

(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one (PubChem CID 126969517) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one.

Molecular Properties

Compound Name(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
PubChem CID126969517
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
SMILESCC1(C)OC[C@@H]2C[C@@H]3C[C@H]3C(=O)N21
InChIInChI=1S/C10H15NO2/c1-10(2)11-7(5-13-10)3-6-4-8(6)9(11)12/h6-8H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyLBDBOBOIHMQPRS-GJMOJQLCSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one with MolForge

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Related Compounds

6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 23322316
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
6-(3-hydroxyoxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734611
6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734623
5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
CID 123234429
(7aS)-6-(benzenesulfonyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11748455
(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70891075
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
6-fluoro-6-(hydroxymethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734619
(6S)-6-[(S)-anilino-[2-(trifluoromethyl)phenyl]methyl]-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 132523638
(6R,7aS)-6-fluoro-6-(2-fluoroethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414299
6-fluoro-6-(2-hydroxyethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734572

Frequently Asked Questions

What is the IUPAC name of (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one?
The IUPAC name of (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one (CID 126969517) is (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one.
What is the SMILES notation for (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one?
The canonical SMILES for (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one is CC1(C)OC[C@@H]2C[C@@H]3C[C@H]3C(=O)N21.
What is the InChIKey of (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one?
The InChIKey is LBDBOBOIHMQPRS-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2)11-7(5-13-10)3-6-4-8(6)9(11)12/h6-8H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one?
(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one has a molecular weight of 181.23 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 (3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one is sourced from PubChem (CID 126969517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).