azocin-5-ylmethanol

C8H9NO — CID 91563568

IUPACazocin-5-ylmethanol
SMILESOCC1=CC=C/N=C\C=C1
InChIInChI=1S/C8H9NO/c10-7-8-3-1-5-9-6-2-4-8/h1-6,10H,7H2/b3-1?,4-2?,5-1?,6-2?,8-3?,8-4?,9-5-,9-6?
InChIKeyBNEHBYYWKYTROD-XNWDTHAVSA-N
MW135.17 g/mol
LogP1.06
Rot. Bonds1

About azocin-5-ylmethanol

azocin-5-ylmethanol (PubChem CID 91563568) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is azocin-5-ylmethanol.

Molecular Properties

Compound Nameazocin-5-ylmethanol
PubChem CID91563568
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Nameazocin-5-ylmethanol
SMILESOCC1=CC=C/N=C\C=C1
InChIInChI=1S/C8H9NO/c10-7-8-3-1-5-9-6-2-4-8/h1-6,10H,7H2/b3-1?,4-2?,5-1?,6-2?,8-3?,8-4?,9-5-,9-6?
InChIKeyBNEHBYYWKYTROD-XNWDTHAVSA-N
XLogP1.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azocin-5-ylmethanol?
The IUPAC name of azocin-5-ylmethanol (CID 91563568) is azocin-5-ylmethanol.
What is the SMILES notation for azocin-5-ylmethanol?
The canonical SMILES for azocin-5-ylmethanol is OCC1=CC=C/N=C\C=C1.
What is the InChIKey of azocin-5-ylmethanol?
The InChIKey is BNEHBYYWKYTROD-XNWDTHAVSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-8-3-1-5-9-6-2-4-8/h1-6,10H,7H2/b3-1?,4-2?,5-1?,6-2?,8-3?,8-4?,9-5-,9-6?.
What are the key properties of azocin-5-ylmethanol?
azocin-5-ylmethanol has a molecular weight of 135.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocin-5-ylmethanol is sourced from PubChem (CID 91563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).