(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C11H20N2O2 — CID 110202153

IUPAC(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C11H20N2O2/c14-11-9-3-1-4-10(9)12-5-2-7-15-8-6-13-11/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyWCRSLTQEHLOTRZ-ZJUUUORDSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds

About (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110202153) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110202153
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C11H20N2O2/c14-11-9-3-1-4-10(9)12-5-2-7-15-8-6-13-11/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyWCRSLTQEHLOTRZ-ZJUUUORDSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199279
1-(3-Methoxypropanoyl)-dodecahydro-1H-cyclopenta[F]1-oxa-4,8-diazacycloundecan-9-one
CID 110202151
(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110202152
(9AR,12AS)-N~1~-(Tert-butyl)-9-oxodecahydro-2H-cyclopenta[F][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
CID 110202155
(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202156
(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202159
(1S,11R)-N,N-diethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202161
(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202162
(1S,11R)-N-(3-methoxypropyl)-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202163
(1S,11R)-N-(2-methylpropyl)-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202166
Ethyl 3-({9-oxo-dodecahydro-1H-cyclopenta[F]1-oxa-4,8-diazacycloundecane-1-carbonyl}amino)propanoate
CID 110202167
(1S,11R)-N,N-dimethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide
CID 110202175

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110202153) is (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCOCCCN[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is WCRSLTQEHLOTRZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-9-3-1-4-10(9)12-5-2-7-15-8-6-13-11/h9-10,12H,1-8H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 212.29 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110202153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).