2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride

C10H18ClNO — CID 90677522

IUPAC2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride
SMILESCl.NCC(O)/C1=C/CC/C=C\CC1
InChIInChI=1S/C10H17NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-2,7,10,12H,3-6,8,11H2;1H/b2-1-,9-7+;
InChIKeyFMOPWCYBELZHQV-FAFSPWQISA-N
MW203.71 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride

2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride (PubChem CID 90677522) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride
PubChem CID90677522
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride
SMILESCl.NCC(O)/C1=C/CC/C=C\CC1
InChIInChI=1S/C10H17NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-2,7,10,12H,3-6,8,11H2;1H/b2-1-,9-7+;
InChIKeyFMOPWCYBELZHQV-FAFSPWQISA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride (CID 90677522) is 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride is Cl.NCC(O)/C1=C/CC/C=C\CC1.
What is the InChIKey of 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride?
The InChIKey is FMOPWCYBELZHQV-FAFSPWQISA-N. The full InChI is InChI=1S/C10H17NO.ClH/c11-8-10(12)9-6-4-2-1-3-5-7-9;/h1-2,7,10,12H,3-6,8,11H2;1H/b2-1-,9-7+;.
What are the key properties of 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride?
2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 90677522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).