1,3,4,9-tetrahydrocyclohepta[d]oxazine

C9H11NO — CID 141346636

IUPAC1,3,4,9-tetrahydrocyclohepta[d]oxazine
SMILESC1=CCC2=C(C=C1)CNOC2
InChIInChI=1S/C9H11NO/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-4,10H,5-7H2
InChIKeyWTKBSIJNDSFVIW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.33
Rot. Bonds

About 1,3,4,9-tetrahydrocyclohepta[d]oxazine

1,3,4,9-tetrahydrocyclohepta[d]oxazine (PubChem CID 141346636) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,3,4,9-tetrahydrocyclohepta[d]oxazine.

Molecular Properties

Compound Name1,3,4,9-tetrahydrocyclohepta[d]oxazine
PubChem CID141346636
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1,3,4,9-tetrahydrocyclohepta[d]oxazine
SMILESC1=CCC2=C(C=C1)CNOC2
InChIInChI=1S/C9H11NO/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-4,10H,5-7H2
InChIKeyWTKBSIJNDSFVIW-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,9-tetrahydrocyclohepta[d]oxazine?
The IUPAC name of 1,3,4,9-tetrahydrocyclohepta[d]oxazine (CID 141346636) is 1,3,4,9-tetrahydrocyclohepta[d]oxazine.
What is the SMILES notation for 1,3,4,9-tetrahydrocyclohepta[d]oxazine?
The canonical SMILES for 1,3,4,9-tetrahydrocyclohepta[d]oxazine is C1=CCC2=C(C=C1)CNOC2.
What is the InChIKey of 1,3,4,9-tetrahydrocyclohepta[d]oxazine?
The InChIKey is WTKBSIJNDSFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-4,10H,5-7H2.
What are the key properties of 1,3,4,9-tetrahydrocyclohepta[d]oxazine?
1,3,4,9-tetrahydrocyclohepta[d]oxazine has a molecular weight of 149.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,9-tetrahydrocyclohepta[d]oxazine is sourced from PubChem (CID 141346636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).