8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine

C14H13NO — CID 649766

IUPAC8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
SMILESCc1ccc2c(c1)CNc1ccccc1O2
InChIInChI=1S/C14H13NO/c1-10-6-7-13-11(8-10)9-15-12-4-2-3-5-14(12)16-13/h2-8,15H,9H2,1H3
InChIKeyNCEYQLGZLWZIPV-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.71
Rot. Bonds

About 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine

8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine (PubChem CID 649766) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine.

Molecular Properties

Compound Name8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
PubChem CID649766
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
SMILESCc1ccc2c(c1)CNc1ccccc1O2
InChIInChI=1S/C14H13NO/c1-10-6-7-13-11(8-10)9-15-12-4-2-3-5-14(12)16-13/h2-8,15H,9H2,1H3
InChIKeyNCEYQLGZLWZIPV-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine?
The IUPAC name of 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine (CID 649766) is 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine.
What is the SMILES notation for 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine?
The canonical SMILES for 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine is Cc1ccc2c(c1)CNc1ccccc1O2.
What is the InChIKey of 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine?
The InChIKey is NCEYQLGZLWZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-6-7-13-11(8-10)9-15-12-4-2-3-5-14(12)16-13/h2-8,15H,9H2,1H3.
What are the key properties of 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine?
8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine has a molecular weight of 211.26 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine is sourced from PubChem (CID 649766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).