methyl 11H-benzo[c][1]benzazepine-8-carboxylate

C16H13NO2 — CID 42635157

IUPACmethyl 11H-benzo[c][1]benzazepine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=Nc1ccccc1C2
InChIInChI=1S/C16H13NO2/c1-19-16(18)13-7-6-11-8-12-4-2-3-5-15(12)17-10-14(11)9-13/h2-7,9-10H,8H2,1H3
InChIKeyICOQJKBDQZBIAX-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.13
Rot. Bonds1

About methyl 11H-benzo[c][1]benzazepine-8-carboxylate

methyl 11H-benzo[c][1]benzazepine-8-carboxylate (PubChem CID 42635157) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 11H-benzo[c][1]benzazepine-8-carboxylate.

Molecular Properties

Compound Namemethyl 11H-benzo[c][1]benzazepine-8-carboxylate
PubChem CID42635157
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namemethyl 11H-benzo[c][1]benzazepine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=Nc1ccccc1C2
InChIInChI=1S/C16H13NO2/c1-19-16(18)13-7-6-11-8-12-4-2-3-5-15(12)17-10-14(11)9-13/h2-7,9-10H,8H2,1H3
InChIKeyICOQJKBDQZBIAX-UHFFFAOYSA-N
XLogP3.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 11H-benzo[c][1]benzazepine-8-carboxylate?
The IUPAC name of methyl 11H-benzo[c][1]benzazepine-8-carboxylate (CID 42635157) is methyl 11H-benzo[c][1]benzazepine-8-carboxylate.
What is the SMILES notation for methyl 11H-benzo[c][1]benzazepine-8-carboxylate?
The canonical SMILES for methyl 11H-benzo[c][1]benzazepine-8-carboxylate is COC(=O)c1ccc2c(c1)C=Nc1ccccc1C2.
What is the InChIKey of methyl 11H-benzo[c][1]benzazepine-8-carboxylate?
The InChIKey is ICOQJKBDQZBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-16(18)13-7-6-11-8-12-4-2-3-5-15(12)17-10-14(11)9-13/h2-7,9-10H,8H2,1H3.
What are the key properties of methyl 11H-benzo[c][1]benzazepine-8-carboxylate?
methyl 11H-benzo[c][1]benzazepine-8-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11H-benzo[c][1]benzazepine-8-carboxylate is sourced from PubChem (CID 42635157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).