1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol

C11H17NO — CID 170100442

IUPAC1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol
SMILESOC1([C@H]2N[C@H]3C=C2CC3)CCCC1
InChIInChI=1S/C11H17NO/c13-11(5-1-2-6-11)10-8-3-4-9(7-8)12-10/h7,9-10,12-13H,1-6H2/t9-,10+/m1/s1
InChIKeyPDMPKHYAUSFWDZ-ZJUUUORDSA-N
MW179.26 g/mol
LogP1.35
Rot. Bonds1

About 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol

1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol (PubChem CID 170100442) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol
PubChem CID170100442
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol
SMILESOC1([C@H]2N[C@H]3C=C2CC3)CCCC1
InChIInChI=1S/C11H17NO/c13-11(5-1-2-6-11)10-8-3-4-9(7-8)12-10/h7,9-10,12-13H,1-6H2/t9-,10+/m1/s1
InChIKeyPDMPKHYAUSFWDZ-ZJUUUORDSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.35
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 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol?
The IUPAC name of 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol (CID 170100442) is 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol is OC1([C@H]2N[C@H]3C=C2CC3)CCCC1.
What is the InChIKey of 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol?
The InChIKey is PDMPKHYAUSFWDZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(5-1-2-6-11)10-8-3-4-9(7-8)12-10/h7,9-10,12-13H,1-6H2/t9-,10+/m1/s1.
What are the key properties of 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol?
1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 170100442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).