(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C12H22N2O2 — CID 110202331

IUPAC(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCOCCCN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H22N2O2/c15-12-10-4-1-2-5-11(10)13-6-3-8-16-9-7-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyMGXWUNLIOWQJDZ-MNOVXSKESA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds

About (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110202331) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110202331
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCOCCCN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H22N2O2/c15-12-10-4-1-2-5-11(10)13-6-3-8-16-9-7-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyMGXWUNLIOWQJDZ-MNOVXSKESA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
2-cyclohexyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2286376
(8aR,12aS)-1-(2-ethoxyacetyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201295
1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 2980303
Dodecahydro-1H-4,1,7-benzoxadiazecin-8-one
CID 110201021
Rel-(9AR,13AS)-1-(methoxyacetyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201188
(1S,11R)-2-[2-(2-methoxyethoxy)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201190
Rel-(9AR,13AS)-1-(3-methoxypropanoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201207
Tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201224
(8aR,12aS)-1-(2-methoxyacetyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201276
8-(2-Cyclohexylacetyl)-1-oxa-4,8-diazacycloundecan-5-one
CID 110201626
(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110202152

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110202331) is (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one is O=C1NCCOCCCN[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is MGXWUNLIOWQJDZ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12-10-4-1-2-5-11(10)13-6-3-8-16-9-7-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 226.32 g/mol, XLogP of 0.67, 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[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110202331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).