CID 59694725

C4H8NO — CID 59694725

IUPAC—
SMILESC[C@H]1CN[CH]O1
InChIInChI=1S/C4H8NO/c1-4-2-5-3-6-4/h3-5H,2H2,1H3/t4-/m0/s1
InChIKeyRCRLOBUQOOSPBL-BYPYZUCNSA-N
MW86.11 g/mol
LogP0.11
Rot. Bonds

About CID 59694725

CID 59694725 (PubChem CID 59694725) has the molecular formula C4H8NO and a molecular weight of 86.11 g/mol.

Molecular Properties

Compound NameCID 59694725
PubChem CID59694725
Molecular FormulaC4H8NO
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name—
SMILESC[C@H]1CN[CH]O1
InChIInChI=1S/C4H8NO/c1-4-2-5-3-6-4/h3-5H,2H2,1H3/t4-/m0/s1
InChIKeyRCRLOBUQOOSPBL-BYPYZUCNSA-N
XLogP0.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694725?
The IUPAC name of CID 59694725 (CID 59694725) is not available.
What is the SMILES notation for CID 59694725?
The canonical SMILES for CID 59694725 is C[C@H]1CN[CH]O1.
What is the InChIKey of CID 59694725?
The InChIKey is RCRLOBUQOOSPBL-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8NO/c1-4-2-5-3-6-4/h3-5H,2H2,1H3/t4-/m0/s1.
What are the key properties of CID 59694725?
CID 59694725 has a molecular weight of 86.11 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694725 is sourced from PubChem (CID 59694725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).