N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C17H22N2O — CID 79562792

IUPACN-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2CC3CCC2C3)c2ccccc21
InChIInChI=1S/C17H22N2O/c20-18-16-7-8-19(17-4-2-1-3-15(16)17)11-14-10-12-5-6-13(14)9-12/h1-4,12-14,20H,5-11H2
InChIKeyBBHHFODVEMGQFG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds2

About N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 79562792) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID79562792
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2CC3CCC2C3)c2ccccc21
InChIInChI=1S/C17H22N2O/c20-18-16-7-8-19(17-4-2-1-3-15(16)17)11-14-10-12-5-6-13(14)9-12/h1-4,12-14,20H,5-11H2
InChIKeyBBHHFODVEMGQFG-UHFFFAOYSA-N
XLogP3.51
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 79562792) is N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is ON=C1CCN(CC2CC3CCC2C3)c2ccccc21.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is BBHHFODVEMGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-18-16-7-8-19(17-4-2-1-3-15(16)17)11-14-10-12-5-6-13(14)9-12/h1-4,12-14,20H,5-11H2.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 270.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 79562792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).