CID 101397745

C5H3 — CID 101397745

IUPAC—
SMILESC#C[CH]C#C
InChIInChI=1S/C5H3/c1-3-5-4-2/h1-2,5H
InChIKeyFEOOCZDIRHAFDB-UHFFFAOYSA-N
MW63.08 g/mol
LogP0.46
Rot. Bonds

About CID 101397745

CID 101397745 (PubChem CID 101397745) has the molecular formula C5H3 and a molecular weight of 63.08 g/mol.

Molecular Properties

Compound NameCID 101397745
PubChem CID101397745
Molecular FormulaC5H3
Molecular Weight63.08 g/mol
Exact Mass63.02
IUPAC Name—
SMILESC#C[CH]C#C
InChIInChI=1S/C5H3/c1-3-5-4-2/h1-2,5H
InChIKeyFEOOCZDIRHAFDB-UHFFFAOYSA-N
XLogP0.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.08
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101397745?
The IUPAC name of CID 101397745 (CID 101397745) is not available.
What is the SMILES notation for CID 101397745?
The canonical SMILES for CID 101397745 is C#C[CH]C#C.
What is the InChIKey of CID 101397745?
The InChIKey is FEOOCZDIRHAFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3/c1-3-5-4-2/h1-2,5H.
What are the key properties of CID 101397745?
CID 101397745 has a molecular weight of 63.08 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101397745 is sourced from PubChem (CID 101397745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).