cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol

C8H15NO — CID 14219057

IUPACcis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
SMILESC=C[C@]1(O)CCCC[C@H]1N
InChIInChI=1S/C8H15NO/c1-2-8(10)6-4-3-5-7(8)9/h2,7,10H,1,3-6,9H2/t7-,8+/m1/s1
InChIKeyLZKOLMJUTKEOTE-SFYZADRCSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds1

About cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol

cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol (PubChem CID 14219057) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
PubChem CID14219057
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namecis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
SMILESC=C[C@]1(O)CCCC[C@H]1N
InChIInChI=1S/C8H15NO/c1-2-8(10)6-4-3-5-7(8)9/h2,7,10H,1,3-6,9H2/t7-,8+/m1/s1
InChIKeyLZKOLMJUTKEOTE-SFYZADRCSA-N
XLogP0.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.80
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 cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol (CID 14219057) is cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol is C=C[C@]1(O)CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol?
The InChIKey is LZKOLMJUTKEOTE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(10)6-4-3-5-7(8)9/h2,7,10H,1,3-6,9H2/t7-,8+/m1/s1.
What are the key properties of cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol?
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol is sourced from PubChem (CID 14219057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).