CID 59694603

C3H3N — CID 59694603

IUPAC—
SMILES[C-]#[N+]C[CH]
InChIInChI=1S/C3H3N/c1-3-4-2/h1H,3H2
InChIKeyVIMVMKGSTGVIPT-UHFFFAOYSA-N
MW53.06 g/mol
LogP0.62
Rot. Bonds

About CID 59694603

CID 59694603 (PubChem CID 59694603) has the molecular formula C3H3N and a molecular weight of 53.06 g/mol.

Molecular Properties

Compound NameCID 59694603
PubChem CID59694603
Molecular FormulaC3H3N
Molecular Weight53.06 g/mol
Exact Mass53.03
IUPAC Name—
SMILES[C-]#[N+]C[CH]
InChIInChI=1S/C3H3N/c1-3-4-2/h1H,3H2
InChIKeyVIMVMKGSTGVIPT-UHFFFAOYSA-N
XLogP0.62
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.06
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59694603?
The IUPAC name of CID 59694603 (CID 59694603) is not available.
What is the SMILES notation for CID 59694603?
The canonical SMILES for CID 59694603 is [C-]#[N+]C[CH].
What is the InChIKey of CID 59694603?
The InChIKey is VIMVMKGSTGVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N/c1-3-4-2/h1H,3H2.
What are the key properties of CID 59694603?
CID 59694603 has a molecular weight of 53.06 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694603 is sourced from PubChem (CID 59694603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).