[(2S)-2-hydroxypropyl]cyanamide

C4H8N2O — CID 107857236

IUPAC[(2S)-2-hydroxypropyl]cyanamide
SMILESC[C@H](O)CNC#N
InChIInChI=1S/C4H8N2O/c1-4(7)2-6-3-5/h4,6-7H,2H2,1H3/t4-/m0/s1
InChIKeyLRMLPNRZFSCXEI-BYPYZUCNSA-N
MW100.12 g/mol
LogP-0.56
Rot. Bonds2

About [(2S)-2-hydroxypropyl]cyanamide

[(2S)-2-hydroxypropyl]cyanamide (PubChem CID 107857236) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is [(2S)-2-hydroxypropyl]cyanamide.

Molecular Properties

Compound Name[(2S)-2-hydroxypropyl]cyanamide
PubChem CID107857236
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name[(2S)-2-hydroxypropyl]cyanamide
SMILESC[C@H](O)CNC#N
InChIInChI=1S/C4H8N2O/c1-4(7)2-6-3-5/h4,6-7H,2H2,1H3/t4-/m0/s1
InChIKeyLRMLPNRZFSCXEI-BYPYZUCNSA-N
XLogP-0.56
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxypropyl]cyanamide?
The IUPAC name of [(2S)-2-hydroxypropyl]cyanamide (CID 107857236) is [(2S)-2-hydroxypropyl]cyanamide.
What is the SMILES notation for [(2S)-2-hydroxypropyl]cyanamide?
The canonical SMILES for [(2S)-2-hydroxypropyl]cyanamide is C[C@H](O)CNC#N.
What is the InChIKey of [(2S)-2-hydroxypropyl]cyanamide?
The InChIKey is LRMLPNRZFSCXEI-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4(7)2-6-3-5/h4,6-7H,2H2,1H3/t4-/m0/s1.
What are the key properties of [(2S)-2-hydroxypropyl]cyanamide?
[(2S)-2-hydroxypropyl]cyanamide has a molecular weight of 100.12 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxypropyl]cyanamide is sourced from PubChem (CID 107857236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).