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

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

(5Z,7Z)-4-methylidenebicyclo[8.2.0]dodeca-1(10),2,5,7-tetraene
CID 174278772
2-but-1-enyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
CID 123505407
2-cyclohexa-2,4-dien-1-ylidene-1,3-dithiane
CID 10936596
ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one
CID 143845418
3-methyl-1,8-dihydrocyclohepta[b]pyrrole
CID 143592907
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
CID 123633481
cyclohexa-2,4-dien-1-one;octahydrate
CID 175148606
2,3,4,7-tetrahydro-1H-isoindole
CID 22759505
cyclohepta-1,3,5-triene-1,2-diamine
CID 163640522
5-methyl-4-phenyl-3,6-dihydro-2H-oxazine
CID 23257169
4-cyclopent-3-en-1-ylidenecyclopentene
CID 59987840

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).