CID 59555848

C3H6NW3-2 — CID 59555848

IUPAC—
SMILES[CH-]N[CH-]C.[W].[W].[W]
InChIInChI=1S/C3H6N.3W/c1-3-4-2;;;/h2-4H,1H3;;;/q-2;;;
InChIKeyNDNAUXJDYXACLJ-UHFFFAOYSA-N
MW607.61 g/mol
LogP0.42
Rot. Bonds1

About CID 59555848

CID 59555848 (PubChem CID 59555848) has the molecular formula C3H6NW3-2 and a molecular weight of 607.61 g/mol.

Molecular Properties

Compound NameCID 59555848
PubChem CID59555848
Molecular FormulaC3H6NW3-2
Molecular Weight607.61 g/mol
Exact Mass607.90
IUPAC Name—
SMILES[CH-]N[CH-]C.[W].[W].[W]
InChIInChI=1S/C3H6N.3W/c1-3-4-2;;;/h2-4H,1H3;;;/q-2;;;
InChIKeyNDNAUXJDYXACLJ-UHFFFAOYSA-N
XLogP0.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.61
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59555848?
The IUPAC name of CID 59555848 (CID 59555848) is not available.
What is the SMILES notation for CID 59555848?
The canonical SMILES for CID 59555848 is [CH-]N[CH-]C.[W].[W].[W].
What is the InChIKey of CID 59555848?
The InChIKey is NDNAUXJDYXACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N.3W/c1-3-4-2;;;/h2-4H,1H3;;;/q-2;;;.
What are the key properties of CID 59555848?
CID 59555848 has a molecular weight of 607.61 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59555848 is sourced from PubChem (CID 59555848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).