8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

C11H12ClNO2 — CID 115825530

IUPAC8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESClc1ccc2c(c1)NC1COCCC1O2
InChIInChI=1S/C11H12ClNO2/c12-7-1-2-10-8(5-7)13-9-6-14-4-3-11(9)15-10/h1-2,5,9,11,13H,3-4,6H2
InChIKeyLDAAXOYJCSIOSR-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.30
Rot. Bonds

About 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (PubChem CID 115825530) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
PubChem CID115825530
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESClc1ccc2c(c1)NC1COCCC1O2
InChIInChI=1S/C11H12ClNO2/c12-7-1-2-10-8(5-7)13-9-6-14-4-3-11(9)15-10/h1-2,5,9,11,13H,3-4,6H2
InChIKeyLDAAXOYJCSIOSR-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine 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

8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825492
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 115825529
6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825726
7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287020
5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
CID 143288801
6-chloro-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837716
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929834
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
CID 117046569

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The IUPAC name of 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (CID 115825530) is 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The canonical SMILES for 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is Clc1ccc2c(c1)NC1COCCC1O2.
What is the InChIKey of 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The InChIKey is LDAAXOYJCSIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-7-1-2-10-8(5-7)13-9-6-14-4-3-11(9)15-10/h1-2,5,9,11,13H,3-4,6H2.
What are the key properties of 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine has a molecular weight of 225.67 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 115825530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).