2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride

C10H14ClNO — CID 90677521

IUPAC2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
SMILESCl.NCC(O)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H13NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-7,10,12H,8,11H2;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+;
InChIKeyYPNLMZUZJLEAIF-QZDSOCKXSA-N
MW199.68 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride

2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride (PubChem CID 90677521) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
PubChem CID90677521
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
SMILESCl.NCC(O)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H13NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-7,10,12H,8,11H2;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+;
InChIKeyYPNLMZUZJLEAIF-QZDSOCKXSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride (CID 90677521) is 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride is Cl.NCC(O)C1=C/C=C\C=C/C=C\1.
What is the InChIKey of 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride?
The InChIKey is YPNLMZUZJLEAIF-QZDSOCKXSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-7,10,12H,8,11H2;1H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,9-6+,9-7+;.
What are the key properties of 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride?
2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclooctatetraenyl)ethanol;hydrochloride is sourced from PubChem (CID 90677521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).