1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol

C13H21NO — CID 65106906

IUPAC1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CC3CC=CC32)CCCC1
InChIInChI=1S/C13H21NO/c15-13(6-1-2-7-13)9-14-12-8-10-4-3-5-11(10)12/h3,5,10-12,14-15H,1-2,4,6-9H2
InChIKeyIXXPJDWXYFYCOD-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.85
Rot. Bonds3

About 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol

1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol (PubChem CID 65106906) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol
PubChem CID65106906
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CC3CC=CC32)CCCC1
InChIInChI=1S/C13H21NO/c15-13(6-1-2-7-13)9-14-12-8-10-4-3-5-11(10)12/h3,5,10-12,14-15H,1-2,4,6-9H2
InChIKeyIXXPJDWXYFYCOD-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.85
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-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol (CID 65106906) is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol is OC1(CNC2CC3CC=CC32)CCCC1.
What is the InChIKey of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol?
The InChIKey is IXXPJDWXYFYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(6-1-2-7-13)9-14-12-8-10-4-3-5-11(10)12/h3,5,10-12,14-15H,1-2,4,6-9H2.
What are the key properties of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol?
1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65106906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).