(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine

C9H17NO — CID 92720099

IUPAC(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
SMILESC1CC[C@@H]2NCCO[C@H]2CC1
InChIInChI=1S/C9H17NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h8-10H,1-7H2/t8-,9-/m0/s1
InChIKeyIXEBRCGZYBWGDL-IUCAKERBSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds

About (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine

(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine (PubChem CID 92720099) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
PubChem CID92720099
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
SMILESC1CC[C@@H]2NCCO[C@H]2CC1
InChIInChI=1S/C9H17NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h8-10H,1-7H2/t8-,9-/m0/s1
InChIKeyIXEBRCGZYBWGDL-IUCAKERBSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine with MolForge

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Related Compounds

(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 96637802
2-(azepan-2-yl)-1,3-oxazolidine
CID 174654499
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417
(4aR,8aR)-1,2,3,4a,5,7,8,8a-octahydrothiopyrano[3,4-b][1,4]oxazine 6,6-dioxide
CID 178199509
2-cyclohexyl-1,3-oxazolidine
CID 117225833
5-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydro-2H-[1,4]oxazino[3,2-b]azepine
CID 174260679
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;methane;4-methylsulfonyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 167711505

Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine?
The IUPAC name of (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine (CID 92720099) is (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine.
What is the SMILES notation for (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine?
The canonical SMILES for (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine is C1CC[C@@H]2NCCO[C@H]2CC1.
What is the InChIKey of (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine?
The InChIKey is IXEBRCGZYBWGDL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-8-9(5-3-1)11-7-6-10-8/h8-10H,1-7H2/t8-,9-/m0/s1.
What are the key properties of (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine?
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine is sourced from PubChem (CID 92720099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).