1-(3-aminocyclopentyl)ethenol

C7H13NO — CID 130242477

IUPAC1-(3-aminocyclopentyl)ethenol
SMILESC=C(O)C1CCC(N)C1
InChIInChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7,9H,1-4,8H2
InChIKeyWCWUTEFCSJHVLX-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds1

About 1-(3-aminocyclopentyl)ethenol

1-(3-aminocyclopentyl)ethenol (PubChem CID 130242477) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)ethenol.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)ethenol
PubChem CID130242477
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3-aminocyclopentyl)ethenol
SMILESC=C(O)C1CCC(N)C1
InChIInChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7,9H,1-4,8H2
InChIKeyWCWUTEFCSJHVLX-UHFFFAOYSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)ethenol?
The IUPAC name of 1-(3-aminocyclopentyl)ethenol (CID 130242477) is 1-(3-aminocyclopentyl)ethenol.
What is the SMILES notation for 1-(3-aminocyclopentyl)ethenol?
The canonical SMILES for 1-(3-aminocyclopentyl)ethenol is C=C(O)C1CCC(N)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)ethenol?
The InChIKey is WCWUTEFCSJHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7,9H,1-4,8H2.
What are the key properties of 1-(3-aminocyclopentyl)ethenol?
1-(3-aminocyclopentyl)ethenol has a molecular weight of 127.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)ethenol is sourced from PubChem (CID 130242477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).