(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine

C13H11N3O — CID 5381807

IUPAC(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
SMILESNc1cc2c(cc1N)-c1ccccc1/C2=N\O
InChIInChI=1S/C13H11N3O/c14-11-5-9-7-3-1-2-4-8(7)13(16-17)10(9)6-12(11)15/h1-6,17H,14-15H2/b16-13+
InChIKeyXXYIXDPDLZLULD-DTQAZKPQSA-N
MW225.25 g/mol
LogP2.06
Rot. Bonds

About (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine

(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine (PubChem CID 5381807) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
PubChem CID5381807
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
SMILESNc1cc2c(cc1N)-c1ccccc1/C2=N\O
InChIInChI=1S/C13H11N3O/c14-11-5-9-7-3-1-2-4-8(7)13(16-17)10(9)6-12(11)15/h1-6,17H,14-15H2/b16-13+
InChIKeyXXYIXDPDLZLULD-DTQAZKPQSA-N
XLogP2.06
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(2,3-diaminofluoren-9-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine (CID 5381807) is (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine is Nc1cc2c(cc1N)-c1ccccc1/C2=N\O.
What is the InChIKey of (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine?
The InChIKey is XXYIXDPDLZLULD-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H11N3O/c14-11-5-9-7-3-1-2-4-8(7)13(16-17)10(9)6-12(11)15/h1-6,17H,14-15H2/b16-13+.
What are the key properties of (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine?
(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine has a molecular weight of 225.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 5381807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).