azet-3-ylmethanol

C4H5NO — CID 152756597

IUPACazet-3-ylmethanol
SMILESOCC1=CN=C1
InChIInChI=1S/C4H5NO/c6-3-4-1-5-2-4/h1-2,6H,3H2
InChIKeyIZMIRCZTMXWHKM-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.05
Rot. Bonds1

About azet-3-ylmethanol

azet-3-ylmethanol (PubChem CID 152756597) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is azet-3-ylmethanol.

Molecular Properties

Compound Nameazet-3-ylmethanol
PubChem CID152756597
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Nameazet-3-ylmethanol
SMILESOCC1=CN=C1
InChIInChI=1S/C4H5NO/c6-3-4-1-5-2-4/h1-2,6H,3H2
InChIKeyIZMIRCZTMXWHKM-UHFFFAOYSA-N
XLogP-0.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azet-3-ylmethanol?
The IUPAC name of azet-3-ylmethanol (CID 152756597) is azet-3-ylmethanol.
What is the SMILES notation for azet-3-ylmethanol?
The canonical SMILES for azet-3-ylmethanol is OCC1=CN=C1.
What is the InChIKey of azet-3-ylmethanol?
The InChIKey is IZMIRCZTMXWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c6-3-4-1-5-2-4/h1-2,6H,3H2.
What are the key properties of azet-3-ylmethanol?
azet-3-ylmethanol has a molecular weight of 83.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azet-3-ylmethanol is sourced from PubChem (CID 152756597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).