N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine

C12H15FN2O — CID 5031665

IUPACN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCCC2)c(F)cc1C=NO
InChIInChI=1S/C12H15FN2O/c1-9-6-12(15-4-2-3-5-15)11(13)7-10(9)8-14-16/h6-8,16H,2-5H2,1H3
InChIKeyAAHYUVDTPCNMIH-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.54
Rot. Bonds2

About N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine (PubChem CID 5031665) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
PubChem CID5031665
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCCC2)c(F)cc1C=NO
InChIInChI=1S/C12H15FN2O/c1-9-6-12(15-4-2-3-5-15)11(13)7-10(9)8-14-16/h6-8,16H,2-5H2,1H3
InChIKeyAAHYUVDTPCNMIH-UHFFFAOYSA-N
XLogP2.54
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine (CID 5031665) is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine is Cc1cc(N2CCCC2)c(F)cc1C=NO.
What is the InChIKey of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine?
The InChIKey is AAHYUVDTPCNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-6-12(15-4-2-3-5-15)11(13)7-10(9)8-14-16/h6-8,16H,2-5H2,1H3.
What are the key properties of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine?
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine has a molecular weight of 222.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5031665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).