4-chloro-2,2-dimethyl-1,3-benzoxazine

C10H10ClNO — CID 602084

IUPAC4-chloro-2,2-dimethyl-1,3-benzoxazine
SMILESCC1(C)N=C(Cl)c2ccccc2O1
InChIInChI=1S/C10H10ClNO/c1-10(2)12-9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyFKSOZOHKBSIGTI-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.80
Rot. Bonds

About 4-chloro-2,2-dimethyl-1,3-benzoxazine

4-chloro-2,2-dimethyl-1,3-benzoxazine (PubChem CID 602084) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-2,2-dimethyl-1,3-benzoxazine.

Molecular Properties

Compound Name4-chloro-2,2-dimethyl-1,3-benzoxazine
PubChem CID602084
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-chloro-2,2-dimethyl-1,3-benzoxazine
SMILESCC1(C)N=C(Cl)c2ccccc2O1
InChIInChI=1S/C10H10ClNO/c1-10(2)12-9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyFKSOZOHKBSIGTI-UHFFFAOYSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1,3-benzoxazine
CID 2762566
N-Hydroxy-2-methoxybenzimidoyl chloride
CID 11206217
N-Methyl 4-Methoxybenzimidoyl Chloride
CID 12410495
9-Methyliminoxanthene
CID 14265482
Iminochromene
CID 15419563
(4-Chromen-2-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20499539
(Z)-2-Methoxybenzoyl chloride oxime
CID 57353351
Imino 3h xanthen
CID 89256513
2h-Chromeno[2,3-d]pyrimidine
CID 129279576
6-fluoro-N-methyl-2,3-dihydrochromen-4-imine
CID 22944343
2-Fluoro-N-hydroxy-6-isobutoxybenzenecarboximidoyl chloride
CID 86622732
(1Z)-2-fluoro-N-hydroxy-6-(2-methylpropoxy)benzenecarboximidoyl chloride
CID 87782212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2-dimethyl-1,3-benzoxazine?
The IUPAC name of 4-chloro-2,2-dimethyl-1,3-benzoxazine (CID 602084) is 4-chloro-2,2-dimethyl-1,3-benzoxazine.
What is the SMILES notation for 4-chloro-2,2-dimethyl-1,3-benzoxazine?
The canonical SMILES for 4-chloro-2,2-dimethyl-1,3-benzoxazine is CC1(C)N=C(Cl)c2ccccc2O1.
What is the InChIKey of 4-chloro-2,2-dimethyl-1,3-benzoxazine?
The InChIKey is FKSOZOHKBSIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-10(2)12-9(11)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3.
What are the key properties of 4-chloro-2,2-dimethyl-1,3-benzoxazine?
4-chloro-2,2-dimethyl-1,3-benzoxazine has a molecular weight of 195.65 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2-dimethyl-1,3-benzoxazine is sourced from PubChem (CID 602084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).