N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine

C17H17NO3 — CID 547102

IUPACN-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine
SMILESCCOc1ccc2c(c1)C(=NO)c1cc(OCC)ccc1-2
InChIInChI=1S/C17H17NO3/c1-3-20-11-5-7-13-14-8-6-12(21-4-2)10-16(14)17(18-19)15(13)9-11/h5-10,19H,3-4H2,1-2H3
InChIKeyYAEYGVVYDUGVQH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.69
Rot. Bonds4

About N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine

N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine (PubChem CID 547102) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine
PubChem CID547102
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine
SMILESCCOc1ccc2c(c1)C(=NO)c1cc(OCC)ccc1-2
InChIInChI=1S/C17H17NO3/c1-3-20-11-5-7-13-14-8-6-12(21-4-2)10-16(14)17(18-19)15(13)9-11/h5-10,19H,3-4H2,1-2H3
InChIKeyYAEYGVVYDUGVQH-UHFFFAOYSA-N
XLogP3.69
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine?
The IUPAC name of N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine (CID 547102) is N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine?
The canonical SMILES for N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine is CCOc1ccc2c(c1)C(=NO)c1cc(OCC)ccc1-2.
What is the InChIKey of N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine?
The InChIKey is YAEYGVVYDUGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-20-11-5-7-13-14-8-6-12(21-4-2)10-16(14)17(18-19)15(13)9-11/h5-10,19H,3-4H2,1-2H3.
What are the key properties of N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine?
N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine has a molecular weight of 283.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-diethoxyfluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 547102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).