8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one

C10H10ClNO2 — CID 83754411

IUPAC8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2c(Cl)cccc2NC1=O
InChIInChI=1S/C10H10ClNO2/c1-10(2)9(13)12-7-5-3-4-6(11)8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChIKeyDDMTZTUJAUSWFP-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.45
Rot. Bonds

About 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one

8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one (PubChem CID 83754411) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
PubChem CID83754411
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2c(Cl)cccc2NC1=O
InChIInChI=1S/C10H10ClNO2/c1-10(2)9(13)12-7-5-3-4-6(11)8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChIKeyDDMTZTUJAUSWFP-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one (CID 83754411) is 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one is CC1(C)Oc2c(Cl)cccc2NC1=O.
What is the InChIKey of 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is DDMTZTUJAUSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-10(2)9(13)12-7-5-3-4-6(11)8(7)14-10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one?
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 211.65 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 83754411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).