N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine

C14H17FN2O — CID 118956595

IUPACN-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine
SMILESC=CCN(CC=C)CC(=NO)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-3-9-17(10-4-2)11-14(16-18)12-7-5-6-8-13(12)15/h3-8,18H,1-2,9-11H2
InChIKeyAEIYJFCIKGBJGJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine

N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 118956595) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine
PubChem CID118956595
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine
SMILESC=CCN(CC=C)CC(=NO)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-3-9-17(10-4-2)11-14(16-18)12-7-5-6-8-13(12)15/h3-8,18H,1-2,9-11H2
InChIKeyAEIYJFCIKGBJGJ-UHFFFAOYSA-N
XLogP2.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine (CID 118956595) is N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine is C=CCN(CC=C)CC(=NO)c1ccccc1F.
What is the InChIKey of N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is AEIYJFCIKGBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-9-17(10-4-2)11-14(16-18)12-7-5-6-8-13(12)15/h3-8,18H,1-2,9-11H2.
What are the key properties of N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine?
N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 248.30 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 118956595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).