(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine

C13H8BrNO — CID 5381853

IUPAC(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine
SMILESO/N=C1\c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C13H8BrNO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15-16)12(9)11/h1-7,16H/b15-13+
InChIKeyAIBKDTNOCYCGQH-FYWRMAATSA-N
MW274.12 g/mol
LogP3.66
Rot. Bonds

About (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine

(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine (PubChem CID 5381853) has the molecular formula C13H8BrNO and a molecular weight of 274.12 g/mol. Its IUPAC name is (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine
PubChem CID5381853
Molecular FormulaC13H8BrNO
Molecular Weight274.12 g/mol
Exact Mass272.98
IUPAC Name(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine
SMILESO/N=C1\c2ccccc2-c2cccc(Br)c21
InChIInChI=1S/C13H8BrNO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15-16)12(9)11/h1-7,16H/b15-13+
InChIKeyAIBKDTNOCYCGQH-FYWRMAATSA-N
XLogP3.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.66
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine (CID 5381853) is (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine is O/N=C1\c2ccccc2-c2cccc(Br)c21.
What is the InChIKey of (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine?
The InChIKey is AIBKDTNOCYCGQH-FYWRMAATSA-N. The full InChI is InChI=1S/C13H8BrNO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15-16)12(9)11/h1-7,16H/b15-13+.
What are the key properties of (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine?
(NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine has a molecular weight of 274.12 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-bromofluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 5381853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).