6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one

C12H10ClNO2 — CID 141383423

IUPAC6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one
SMILESCC=Cc1nc2c(C)cc(Cl)cc2c(=O)o1
InChIInChI=1S/C12H10ClNO2/c1-3-4-10-14-11-7(2)5-8(13)6-9(11)12(15)16-10/h3-6H,1-2H3
InChIKeyTUMXAMYLHIOSDW-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.18
Rot. Bonds1

About 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one

6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one (PubChem CID 141383423) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one
PubChem CID141383423
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one
SMILESCC=Cc1nc2c(C)cc(Cl)cc2c(=O)o1
InChIInChI=1S/C12H10ClNO2/c1-3-4-10-14-11-7(2)5-8(13)6-9(11)12(15)16-10/h3-6H,1-2H3
InChIKeyTUMXAMYLHIOSDW-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one?
The IUPAC name of 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one (CID 141383423) is 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one?
The canonical SMILES for 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one is CC=Cc1nc2c(C)cc(Cl)cc2c(=O)o1.
What is the InChIKey of 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one?
The InChIKey is TUMXAMYLHIOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-3-4-10-14-11-7(2)5-8(13)6-9(11)12(15)16-10/h3-6H,1-2H3.
What are the key properties of 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one?
6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one has a molecular weight of 235.67 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-prop-1-enyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 141383423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).