(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine

C17H14BrNO — CID 5385166

IUPAC(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc2cc(Br)c3ccccc3c2c1
InChIInChI=1S/C17H14BrNO/c1-2-17(19-20)12-8-7-11-10-16(18)14-6-4-3-5-13(14)15(11)9-12/h3-10,20H,2H2,1H3/b19-17-
InChIKeyXGZRVOLTGCVKOT-ZPHPHTNESA-N
MW328.21 g/mol
LogP5.34
Rot. Bonds2

About (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine

(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine (PubChem CID 5385166) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine
PubChem CID5385166
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc2cc(Br)c3ccccc3c2c1
InChIInChI=1S/C17H14BrNO/c1-2-17(19-20)12-8-7-11-10-16(18)14-6-4-3-5-13(14)15(11)9-12/h3-10,20H,2H2,1H3/b19-17-
InChIKeyXGZRVOLTGCVKOT-ZPHPHTNESA-N
XLogP5.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine (CID 5385166) is (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine is CC/C(=N/O)c1ccc2cc(Br)c3ccccc3c2c1.
What is the InChIKey of (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine?
The InChIKey is XGZRVOLTGCVKOT-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14BrNO/c1-2-17(19-20)12-8-7-11-10-16(18)14-6-4-3-5-13(14)15(11)9-12/h3-10,20H,2H2,1H3/b19-17-.
What are the key properties of (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine?
(NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine has a molecular weight of 328.21 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(9-bromophenanthren-3-yl)propylidene]hydroxylamine is sourced from PubChem (CID 5385166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).