1-methoxy-2-(1H-pyrrol-2-yl)hydrazine

C5H9N3O — CID 163760345

IUPAC1-methoxy-2-(1H-pyrrol-2-yl)hydrazine
SMILESCONNc1ccc[nH]1
InChIInChI=1S/C5H9N3O/c1-9-8-7-5-3-2-4-6-5/h2-4,6-8H,1H3
InChIKeyLXQYKMGEGMJHDF-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.49
Rot. Bonds3

About 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine

1-methoxy-2-(1H-pyrrol-2-yl)hydrazine (PubChem CID 163760345) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine.

Molecular Properties

Compound Name1-methoxy-2-(1H-pyrrol-2-yl)hydrazine
PubChem CID163760345
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-methoxy-2-(1H-pyrrol-2-yl)hydrazine
SMILESCONNc1ccc[nH]1
InChIInChI=1S/C5H9N3O/c1-9-8-7-5-3-2-4-6-5/h2-4,6-8H,1H3
InChIKeyLXQYKMGEGMJHDF-UHFFFAOYSA-N
XLogP0.49
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine?
The IUPAC name of 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine (CID 163760345) is 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine.
What is the SMILES notation for 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine?
The canonical SMILES for 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine is CONNc1ccc[nH]1.
What is the InChIKey of 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine?
The InChIKey is LXQYKMGEGMJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-9-8-7-5-3-2-4-6-5/h2-4,6-8H,1H3.
What are the key properties of 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine?
1-methoxy-2-(1H-pyrrol-2-yl)hydrazine has a molecular weight of 127.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1H-pyrrol-2-yl)hydrazine is sourced from PubChem (CID 163760345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).