(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

C16H22N2O2 — CID 103134740

IUPAC(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCC1CCC(CN2CCC/C(=N/O)c3ccccc32)O1
InChIInChI=1S/C16H22N2O2/c1-12-8-9-13(20-12)11-18-10-4-6-15(17-19)14-5-2-3-7-16(14)18/h2-3,5,7,12-13,19H,4,6,8-11H2,1H3/b17-15-
InChIKeyPJPLKJSBLQCHIL-ICFOKQHNSA-N
MW274.36 g/mol
LogP3.03
Rot. Bonds2

About (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (PubChem CID 103134740) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
PubChem CID103134740
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCC1CCC(CN2CCC/C(=N/O)c3ccccc32)O1
InChIInChI=1S/C16H22N2O2/c1-12-8-9-13(20-12)11-18-10-4-6-15(17-19)14-5-2-3-7-16(14)18/h2-3,5,7,12-13,19H,4,6,8-11H2,1H3/b17-15-
InChIKeyPJPLKJSBLQCHIL-ICFOKQHNSA-N
XLogP3.03
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 103144081
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
(NZ)-N-[1-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337181
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325
N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184
5-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]pentanenitrile
CID 114337332
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337326

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (CID 103134740) is (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is CC1CCC(CN2CCC/C(=N/O)c3ccccc32)O1.
What is the InChIKey of (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The InChIKey is PJPLKJSBLQCHIL-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-8-9-13(20-12)11-18-10-4-6-15(17-19)14-5-2-3-7-16(14)18/h2-3,5,7,12-13,19H,4,6,8-11H2,1H3/b17-15-.
What are the key properties of (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
(NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine has a molecular weight of 274.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is sourced from PubChem (CID 103134740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).