(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine

C16H13NO — CID 5354493

IUPAC(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
SMILESC/C(=N/O)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C16H13NO/c1-11(17-18)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10,18H,1H3/b17-11-
InChIKeyKBJZNSAZGOKTFN-BOPFTXTBSA-N
MW235.29 g/mol
LogP4.19
Rot. Bonds1

About (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine

(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine (PubChem CID 5354493) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
PubChem CID5354493
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
SMILESC/C(=N/O)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C16H13NO/c1-11(17-18)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10,18H,1H3/b17-11-
InChIKeyKBJZNSAZGOKTFN-BOPFTXTBSA-N
XLogP4.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.19
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-phenanthren-3-ylethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine (CID 5354493) is (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine is C/C(=N/O)c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine?
The InChIKey is KBJZNSAZGOKTFN-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(17-18)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10,18H,1H3/b17-11-.
What are the key properties of (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine?
(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine has a molecular weight of 235.29 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine is sourced from PubChem (CID 5354493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).