8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H10ClNO — CID 75355763

IUPAC8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cccc(Cl)c2O1
InChIInChI=1S/C9H10ClNO/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyKMCYRJUINMFXIX-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.53
Rot. Bonds

About 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 75355763) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID75355763
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cccc(Cl)c2O1
InChIInChI=1S/C9H10ClNO/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyKMCYRJUINMFXIX-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 75355763) is 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1CNc2cccc(Cl)c2O1.
What is the InChIKey of 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KMCYRJUINMFXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 183.64 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 75355763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).