(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one

C18H16N2O2 — CID 87622043

IUPAC(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one
SMILESO=c1/c(=N/O)c2ccccc2c2ccccc2n1CC1CC1
InChIInChI=1S/C18H16N2O2/c21-18-17(19-22)15-7-2-1-5-13(15)14-6-3-4-8-16(14)20(18)11-12-9-10-12/h1-8,12,22H,9-11H2/b19-17+
InChIKeyZVEPHMAFIOCVHV-HTXNQAPBSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds2

About (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one

(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one (PubChem CID 87622043) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one
PubChem CID87622043
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one
SMILESO=c1/c(=N/O)c2ccccc2c2ccccc2n1CC1CC1
InChIInChI=1S/C18H16N2O2/c21-18-17(19-22)15-7-2-1-5-13(15)14-6-3-4-8-16(14)20(18)11-12-9-10-12/h1-8,12,22H,9-11H2/b19-17+
InChIKeyZVEPHMAFIOCVHV-HTXNQAPBSA-N
XLogP2.85
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one?
The IUPAC name of (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one (CID 87622043) is (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one?
The canonical SMILES for (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one is O=c1/c(=N/O)c2ccccc2c2ccccc2n1CC1CC1.
What is the InChIKey of (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one?
The InChIKey is ZVEPHMAFIOCVHV-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-17(19-22)15-7-2-1-5-13(15)14-6-3-4-8-16(14)20(18)11-12-9-10-12/h1-8,12,22H,9-11H2/b19-17+.
What are the key properties of (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one?
(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one has a molecular weight of 292.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 87622043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).