3-(2-hydroxycyclopent-3-en-1-yl)propanamide

C8H13NO2 — CID 57004911

IUPAC3-(2-hydroxycyclopent-3-en-1-yl)propanamide
SMILESNC(=O)CCC1CC=CC1O
InChIInChI=1S/C8H13NO2/c9-8(11)5-4-6-2-1-3-7(6)10/h1,3,6-7,10H,2,4-5H2,(H2,9,11)
InChIKeyODAFYMYGTZZZJK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.19
Rot. Bonds3

About 3-(2-hydroxycyclopent-3-en-1-yl)propanamide

3-(2-hydroxycyclopent-3-en-1-yl)propanamide (PubChem CID 57004911) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(2-hydroxycyclopent-3-en-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxycyclopent-3-en-1-yl)propanamide
PubChem CID57004911
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(2-hydroxycyclopent-3-en-1-yl)propanamide
SMILESNC(=O)CCC1CC=CC1O
InChIInChI=1S/C8H13NO2/c9-8(11)5-4-6-2-1-3-7(6)10/h1,3,6-7,10H,2,4-5H2,(H2,9,11)
InChIKeyODAFYMYGTZZZJK-UHFFFAOYSA-N
XLogP0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.19
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 3-(2-hydroxycyclopent-3-en-1-yl)propanamide?
The IUPAC name of 3-(2-hydroxycyclopent-3-en-1-yl)propanamide (CID 57004911) is 3-(2-hydroxycyclopent-3-en-1-yl)propanamide.
What is the SMILES notation for 3-(2-hydroxycyclopent-3-en-1-yl)propanamide?
The canonical SMILES for 3-(2-hydroxycyclopent-3-en-1-yl)propanamide is NC(=O)CCC1CC=CC1O.
What is the InChIKey of 3-(2-hydroxycyclopent-3-en-1-yl)propanamide?
The InChIKey is ODAFYMYGTZZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-8(11)5-4-6-2-1-3-7(6)10/h1,3,6-7,10H,2,4-5H2,(H2,9,11).
What are the key properties of 3-(2-hydroxycyclopent-3-en-1-yl)propanamide?
3-(2-hydroxycyclopent-3-en-1-yl)propanamide has a molecular weight of 155.20 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopent-3-en-1-yl)propanamide is sourced from PubChem (CID 57004911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).