1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol

C13H23NO — CID 122500311

IUPAC1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol
SMILESC=CC1C(CCC(N)O)=CCC1CCC
InChIInChI=1S/C13H23NO/c1-3-5-10-6-7-11(12(10)4-2)8-9-13(14)15/h4,7,10,12-13,15H,2-3,5-6,8-9,14H2,1H3
InChIKeyLMCSKVUDGDYGPD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.59
Rot. Bonds6

About 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol

1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol (PubChem CID 122500311) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol
PubChem CID122500311
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol
SMILESC=CC1C(CCC(N)O)=CCC1CCC
InChIInChI=1S/C13H23NO/c1-3-5-10-6-7-11(12(10)4-2)8-9-13(14)15/h4,7,10,12-13,15H,2-3,5-6,8-9,14H2,1H3
InChIKeyLMCSKVUDGDYGPD-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol?
The IUPAC name of 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol (CID 122500311) is 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol.
What is the SMILES notation for 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol?
The canonical SMILES for 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol is C=CC1C(CCC(N)O)=CCC1CCC.
What is the InChIKey of 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol?
The InChIKey is LMCSKVUDGDYGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-10-6-7-11(12(10)4-2)8-9-13(14)15/h4,7,10,12-13,15H,2-3,5-6,8-9,14H2,1H3.
What are the key properties of 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol?
1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-ethenyl-4-propylcyclopenten-1-yl)propan-1-ol is sourced from PubChem (CID 122500311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).