7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

C12H14ClNO2 — CID 82231833

IUPAC7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc2c(c(C)c1Cl)N(C)C(=O)CCO2
InChIInChI=1S/C12H14ClNO2/c1-7-6-9-12(8(2)11(7)13)14(3)10(15)4-5-16-9/h6H,4-5H2,1-3H3
InChIKeyMQYPDPVWHHFQJE-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.70
Rot. Bonds

About 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82231833) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82231833
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1cc2c(c(C)c1Cl)N(C)C(=O)CCO2
InChIInChI=1S/C12H14ClNO2/c1-7-6-9-12(8(2)11(7)13)14(3)10(15)4-5-16-9/h6H,4-5H2,1-3H3
InChIKeyMQYPDPVWHHFQJE-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82231833) is 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is Cc1cc2c(c(C)c1Cl)N(C)C(=O)CCO2.
What is the InChIKey of 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is MQYPDPVWHHFQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-6-9-12(8(2)11(7)13)14(3)10(15)4-5-16-9/h6H,4-5H2,1-3H3.
What are the key properties of 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 239.70 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6,8-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).