CID 5362914

C5H9 — CID 5362914

IUPAC—
SMILES[CH2]CCC=C
InChIInChI=1S/C5H9/c1-3-5-4-2/h3H,1-2,4-5H2
InChIKeyBMMZQFXLAFBGTI-UHFFFAOYSA-N
MW69.13 g/mol
LogP1.79
Rot. Bonds2

About CID 5362914

CID 5362914 (PubChem CID 5362914) has the molecular formula C5H9 and a molecular weight of 69.13 g/mol.

Molecular Properties

Compound NameCID 5362914
PubChem CID5362914
Molecular FormulaC5H9
Molecular Weight69.13 g/mol
Exact Mass69.07
IUPAC Name—
SMILES[CH2]CCC=C
InChIInChI=1S/C5H9/c1-3-5-4-2/h3H,1-2,4-5H2
InChIKeyBMMZQFXLAFBGTI-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5362914?
The IUPAC name of CID 5362914 (CID 5362914) is not available.
What is the SMILES notation for CID 5362914?
The canonical SMILES for CID 5362914 is [CH2]CCC=C.
What is the InChIKey of CID 5362914?
The InChIKey is BMMZQFXLAFBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9/c1-3-5-4-2/h3H,1-2,4-5H2.
What are the key properties of CID 5362914?
CID 5362914 has a molecular weight of 69.13 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5362914 is sourced from PubChem (CID 5362914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).