(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine

C11H17NO2 — CID 15527401

IUPAC(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine
SMILESC1=C2CCO[C@@H]3CCCC[C@]23NOC1
InChIInChI=1S/C11H17NO2/c1-2-6-11-9(5-8-14-12-11)4-7-13-10(11)3-1/h5,10,12H,1-4,6-8H2/t10-,11+/m1/s1
InChIKeyQYIZZLZDDPEWMI-MNOVXSKESA-N
MW195.26 g/mol
LogP1.55
Rot. Bonds

About (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine

(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine (PubChem CID 15527401) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine.

Molecular Properties

Compound Name(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine
PubChem CID15527401
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine
SMILESC1=C2CCO[C@@H]3CCCC[C@]23NOC1
InChIInChI=1S/C11H17NO2/c1-2-6-11-9(5-8-14-12-11)4-7-13-10(11)3-1/h5,10,12H,1-4,6-8H2/t10-,11+/m1/s1
InChIKeyQYIZZLZDDPEWMI-MNOVXSKESA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine?
The IUPAC name of (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine (CID 15527401) is (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine.
What is the SMILES notation for (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine?
The canonical SMILES for (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine is C1=C2CCO[C@@H]3CCCC[C@]23NOC1.
What is the InChIKey of (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine?
The InChIKey is QYIZZLZDDPEWMI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-6-11-9(5-8-14-12-11)4-7-13-10(11)3-1/h5,10,12H,1-4,6-8H2/t10-,11+/m1/s1.
What are the key properties of (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine?
(7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine has a molecular weight of 195.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,11aS)-3,5,6,7a,8,9,10,11-octahydro-1H-chromeno[4a,4-c]oxazine is sourced from PubChem (CID 15527401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).