1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol

C13H23NO — CID 123170778

IUPAC1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol
SMILESCCC(O)C1=CCC2CCCC(CN2)C1
InChIInChI=1S/C13H23NO/c1-2-13(15)11-6-7-12-5-3-4-10(8-11)9-14-12/h6,10,12-15H,2-5,7-9H2,1H3
InChIKeyGNNWFWVJBADPMZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds2

About 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol

1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol (PubChem CID 123170778) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol
PubChem CID123170778
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol
SMILESCCC(O)C1=CCC2CCCC(CN2)C1
InChIInChI=1S/C13H23NO/c1-2-13(15)11-6-7-12-5-3-4-10(8-11)9-14-12/h6,10,12-15H,2-5,7-9H2,1H3
InChIKeyGNNWFWVJBADPMZ-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
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-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol?
The IUPAC name of 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol (CID 123170778) is 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol.
What is the SMILES notation for 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol?
The canonical SMILES for 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol is CCC(O)C1=CCC2CCCC(CN2)C1.
What is the InChIKey of 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol?
The InChIKey is GNNWFWVJBADPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-13(15)11-6-7-12-5-3-4-10(8-11)9-14-12/h6,10,12-15H,2-5,7-9H2,1H3.
What are the key properties of 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol?
1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol is sourced from PubChem (CID 123170778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).