(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate

C15H12N2O3 — CID 69105929

IUPAC(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate
SMILESNC(=O)ON1c2ccccc2C=C(O)c2ccccc21
InChIInChI=1S/C15H12N2O3/c16-15(19)20-17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-9,18H,(H2,16,19)
InChIKeyRDYYUPKBYJELTF-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.20
Rot. Bonds1

About (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate

(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate (PubChem CID 69105929) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate.

Molecular Properties

Compound Name(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate
PubChem CID69105929
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate
SMILESNC(=O)ON1c2ccccc2C=C(O)c2ccccc21
InChIInChI=1S/C15H12N2O3/c16-15(19)20-17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-9,18H,(H2,16,19)
InChIKeyRDYYUPKBYJELTF-UHFFFAOYSA-N
XLogP3.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate?
The IUPAC name of (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate (CID 69105929) is (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate.
What is the SMILES notation for (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate?
The canonical SMILES for (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate is NC(=O)ON1c2ccccc2C=C(O)c2ccccc21.
What is the InChIKey of (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate?
The InChIKey is RDYYUPKBYJELTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-15(19)20-17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-9,18H,(H2,16,19).
What are the key properties of (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate?
(5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate has a molecular weight of 268.27 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxybenzo[b][1]benzazepin-11-yl) carbamate is sourced from PubChem (CID 69105929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).