N-(pyren-4-ylmethylidene)hydroxylamine

C17H11NO — CID 3722226

IUPACN-(pyren-4-ylmethylidene)hydroxylamine
SMILESON=Cc1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C17H11NO/c19-18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-10,19H
InChIKeyJXQABKKHJONTMZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.39
Rot. Bonds1

About N-(pyren-4-ylmethylidene)hydroxylamine

N-(pyren-4-ylmethylidene)hydroxylamine (PubChem CID 3722226) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(pyren-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(pyren-4-ylmethylidene)hydroxylamine
PubChem CID3722226
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC NameN-(pyren-4-ylmethylidene)hydroxylamine
SMILESON=Cc1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C17H11NO/c19-18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-10,19H
InChIKeyJXQABKKHJONTMZ-UHFFFAOYSA-N
XLogP4.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.39
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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Related Compounds

N-phenyl-N-(pyren-4-ylmethylideneamino)aniline
CID 59963659
N-(4-bromophenyl)-1-pyren-4-ylmethanimine
CID 86256173
4-[(E)-but-1-enyl]pyrene
CID 157335198
(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
N-[(E)-2-(4-methoxyphenyl)ethenyl]-1-pyren-4-ylmethanimine
CID 102256918
(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
CID 15261160
octacyclo[19.7.1.114,18.02,19.04,17.07,16.010,15.025,29]triaconta-1(28),2,4(17),5,7(16),8,10(15),11,13,18(30),19,21,23,25(29),26-pentadecaene
CID 21087928
4-bromopyrene
CID 3014036
4-fluoropyrene
CID 15263498
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
1-pyren-4-ylpyrene
CID 71343129

Frequently Asked Questions

What is the IUPAC name of N-(pyren-4-ylmethylidene)hydroxylamine?
The IUPAC name of N-(pyren-4-ylmethylidene)hydroxylamine (CID 3722226) is N-(pyren-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(pyren-4-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(pyren-4-ylmethylidene)hydroxylamine is ON=Cc1cc2cccc3ccc4cccc1c4c32.
What is the InChIKey of N-(pyren-4-ylmethylidene)hydroxylamine?
The InChIKey is JXQABKKHJONTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c19-18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-10,19H.
What are the key properties of N-(pyren-4-ylmethylidene)hydroxylamine?
N-(pyren-4-ylmethylidene)hydroxylamine has a molecular weight of 245.28 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyren-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 3722226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).