N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine

C6H8N2O — CID 137221296

IUPACN-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
SMILESCc1ccc(C=NO)[nH]1
InChIInChI=1S/C6H8N2O/c1-5-2-3-6(8-5)4-7-9/h2-4,8-9H,1H3
InChIKeyFVWHEHOMDCFRFH-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.13
Rot. Bonds1

About N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine

N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine (PubChem CID 137221296) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
PubChem CID137221296
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
SMILESCc1ccc(C=NO)[nH]1
InChIInChI=1S/C6H8N2O/c1-5-2-3-6(8-5)4-7-9/h2-4,8-9H,1H3
InChIKeyFVWHEHOMDCFRFH-UHFFFAOYSA-N
XLogP1.13
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine (CID 137221296) is N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine is Cc1ccc(C=NO)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine?
The InChIKey is FVWHEHOMDCFRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-2-3-6(8-5)4-7-9/h2-4,8-9H,1H3.
What are the key properties of N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine?
N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine has a molecular weight of 124.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).