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

C13H18N2O2 — CID 114337205

IUPAC(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCOCCN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-17-10-9-15-8-4-6-12(14-16)11-5-2-3-7-13(11)15/h2-3,5,7,16H,4,6,8-10H2,1H3/b14-12-
InChIKeyQMKICBFSHJMOAT-OWBHPGMISA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds3

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

(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (PubChem CID 114337205) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
PubChem CID114337205
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCOCCN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-17-10-9-15-8-4-6-12(14-16)11-5-2-3-7-13(11)15/h2-3,5,7,16H,4,6,8-10H2,1H3/b14-12-
InChIKeyQMKICBFSHJMOAT-OWBHPGMISA-N
XLogP2.11
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.11
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'}

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Related Compounds

(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
5-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]pentanenitrile
CID 114337332
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171
N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033947
(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
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (CID 114337205) is (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is COCCN1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The InChIKey is QMKICBFSHJMOAT-OWBHPGMISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-10-9-15-8-4-6-12(14-16)11-5-2-3-7-13(11)15/h2-3,5,7,16H,4,6,8-10H2,1H3/b14-12-.
What are the key properties of (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine has a molecular weight of 234.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is sourced from PubChem (CID 114337205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).