prolyl

C5H8NO — CID 57465876

IUPAC—
SMILESO=[C]C1CCCN1
InChIInChI=1S/C5H8NO/c7-4-5-2-1-3-6-5/h5-6H,1-3H2
InChIKeyPQJJPMUXPWHMDX-UHFFFAOYSA-N
MW98.12 g/mol
LogP-0.15
Rot. Bonds1

About prolyl

prolyl (PubChem CID 57465876) has the molecular formula C5H8NO and a molecular weight of 98.12 g/mol.

Molecular Properties

Compound Nameprolyl
PubChem CID57465876
Molecular FormulaC5H8NO
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Name—
SMILESO=[C]C1CCCN1
InChIInChI=1S/C5H8NO/c7-4-5-2-1-3-6-5/h5-6H,1-3H2
InChIKeyPQJJPMUXPWHMDX-UHFFFAOYSA-N
XLogP-0.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of prolyl?
The IUPAC name of prolyl (CID 57465876) is not available.
What is the SMILES notation for prolyl?
The canonical SMILES for prolyl is O=[C]C1CCCN1.
What is the InChIKey of prolyl?
The InChIKey is PQJJPMUXPWHMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO/c7-4-5-2-1-3-6-5/h5-6H,1-3H2.
What are the key properties of prolyl?
prolyl has a molecular weight of 98.12 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prolyl is sourced from PubChem (CID 57465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).