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

C10H12ClNO — CID 115095511

IUPAC5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2c(Cl)cccc2O1
InChIInChI=1S/C10H12ClNO/c1-10(2)6-12-9-7(11)4-3-5-8(9)13-10/h3-5,12H,6H2,1-2H3
InChIKeySFYQBCKWPRIXEC-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.92
Rot. Bonds

About 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine (PubChem CID 115095511) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
PubChem CID115095511
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2c(Cl)cccc2O1
InChIInChI=1S/C10H12ClNO/c1-10(2)6-12-9-7(11)4-3-5-8(9)13-10/h3-5,12H,6H2,1-2H3
InChIKeySFYQBCKWPRIXEC-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine (CID 115095511) is 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine is CC1(C)CNc2c(Cl)cccc2O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
The InChIKey is SFYQBCKWPRIXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(2)6-12-9-7(11)4-3-5-8(9)13-10/h3-5,12H,6H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine?
5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine has a molecular weight of 197.66 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 115095511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).