N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine

C14H16N2O — CID 173128158

IUPACN-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine
SMILESCc1ccc(C)n1-c1ccc(CC=NO)cc1
InChIInChI=1S/C14H16N2O/c1-11-3-4-12(2)16(11)14-7-5-13(6-8-14)9-10-15-17/h3-8,10,17H,9H2,1-2H3
InChIKeyRKPOCYSSFFXCLH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.10
Rot. Bonds3

About N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine

N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine (PubChem CID 173128158) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine
PubChem CID173128158
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine
SMILESCc1ccc(C)n1-c1ccc(CC=NO)cc1
InChIInChI=1S/C14H16N2O/c1-11-3-4-12(2)16(11)14-7-5-13(6-8-14)9-10-15-17/h3-8,10,17H,9H2,1-2H3
InChIKeyRKPOCYSSFFXCLH-UHFFFAOYSA-N
XLogP3.10
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', '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 N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine (CID 173128158) is N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine is Cc1ccc(C)n1-c1ccc(CC=NO)cc1.
What is the InChIKey of N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine?
The InChIKey is RKPOCYSSFFXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-3-4-12(2)16(11)14-7-5-13(6-8-14)9-10-15-17/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine?
N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine has a molecular weight of 228.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 173128158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).