N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C13H18N2O2 — CID 77033947

IUPACN-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCOCC(C)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-10(9-17-2)15-8-7-12(14-16)11-5-3-4-6-13(11)15/h3-6,10,16H,7-9H2,1-2H3
InChIKeyUDSWXIONDHECPB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds3

About N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033947) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033947
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCOCC(C)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C13H18N2O2/c1-10(9-17-2)15-8-7-12(14-16)11-5-3-4-6-13(11)15/h3-6,10,16H,7-9H2,1-2H3
InChIKeyUDSWXIONDHECPB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033947) is N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is COCC(C)N1CCC(=NO)c2ccccc21.
What is the InChIKey of N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is UDSWXIONDHECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(9-17-2)15-8-7-12(14-16)11-5-3-4-6-13(11)15/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-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 N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).