CID 12844185

C5H7 — CID 12844185

IUPAC—
SMILES[CH2]/C=C/C=C
InChIInChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3+
InChIKeyDVOOWDFPPNOBFV-HWKANZROSA-N
MW67.11 g/mol
LogP1.56
Rot. Bonds1

About CID 12844185

CID 12844185 (PubChem CID 12844185) has the molecular formula C5H7 and a molecular weight of 67.11 g/mol.

Molecular Properties

Compound NameCID 12844185
PubChem CID12844185
Molecular FormulaC5H7
Molecular Weight67.11 g/mol
Exact Mass67.05
IUPAC Name—
SMILES[CH2]/C=C/C=C
InChIInChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3+
InChIKeyDVOOWDFPPNOBFV-HWKANZROSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 12844185?
The IUPAC name of CID 12844185 (CID 12844185) is not available.
What is the SMILES notation for CID 12844185?
The canonical SMILES for CID 12844185 is [CH2]/C=C/C=C.
What is the InChIKey of CID 12844185?
The InChIKey is DVOOWDFPPNOBFV-HWKANZROSA-N. The full InChI is InChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2/b5-3+.
What are the key properties of CID 12844185?
CID 12844185 has a molecular weight of 67.11 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12844185 is sourced from PubChem (CID 12844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).