6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol

C10H15NO — CID 89044121

IUPAC6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1=C(O)C(CN)=CCC1
InChIInChI=1S/C10H15NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6,12H,1,3-5,7,11H2
InChIKeyCBGKLBMJJYJGIG-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds3

About 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol

6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol (PubChem CID 89044121) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol
PubChem CID89044121
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1=C(O)C(CN)=CCC1
InChIInChI=1S/C10H15NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6,12H,1,3-5,7,11H2
InChIKeyCBGKLBMJJYJGIG-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.05
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 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol (CID 89044121) is 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol is C=CCC1=C(O)C(CN)=CCC1.
What is the InChIKey of 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
The InChIKey is CBGKLBMJJYJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2,6,12H,1,3-5,7,11H2.
What are the key properties of 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol?
6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-prop-2-enylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89044121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).