methanamine;1H-pyrrole-3-carbaldehyde

C8H20N4O — CID 174599153

IUPACmethanamine;1H-pyrrole-3-carbaldehyde
SMILESCN.CN.CN.O=Cc1cc[nH]c1
InChIInChI=1S/C5H5NO.3CH5N/c7-4-5-1-2-6-3-5;3*1-2/h1-4,6H;3*2H2,1H3
InChIKeyAXBHFZGGYMLDHE-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.45
Rot. Bonds1

About methanamine;1H-pyrrole-3-carbaldehyde

methanamine;1H-pyrrole-3-carbaldehyde (PubChem CID 174599153) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is methanamine;1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Namemethanamine;1H-pyrrole-3-carbaldehyde
PubChem CID174599153
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Namemethanamine;1H-pyrrole-3-carbaldehyde
SMILESCN.CN.CN.O=Cc1cc[nH]c1
InChIInChI=1S/C5H5NO.3CH5N/c7-4-5-1-2-6-3-5;3*1-2/h1-4,6H;3*2H2,1H3
InChIKeyAXBHFZGGYMLDHE-UHFFFAOYSA-N
XLogP-0.45
TPSA110.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;1H-pyrrole-3-carbaldehyde?
The IUPAC name of methanamine;1H-pyrrole-3-carbaldehyde (CID 174599153) is methanamine;1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for methanamine;1H-pyrrole-3-carbaldehyde?
The canonical SMILES for methanamine;1H-pyrrole-3-carbaldehyde is CN.CN.CN.O=Cc1cc[nH]c1.
What is the InChIKey of methanamine;1H-pyrrole-3-carbaldehyde?
The InChIKey is AXBHFZGGYMLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.3CH5N/c7-4-5-1-2-6-3-5;3*1-2/h1-4,6H;3*2H2,1H3.
What are the key properties of methanamine;1H-pyrrole-3-carbaldehyde?
methanamine;1H-pyrrole-3-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of -0.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 174599153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).