N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide

C8H13NO2 — CID 69272974

IUPACN-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide
SMILESCC(=O)NC(O)C1C=CCC1
InChIInChI=1S/C8H13NO2/c1-6(10)9-8(11)7-4-2-3-5-7/h2,4,7-8,11H,3,5H2,1H3,(H,9,10)
InChIKeyBRPYMYNAJYGXCU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.41
Rot. Bonds2

About N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide

N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide (PubChem CID 69272974) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide.

Molecular Properties

Compound NameN-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide
PubChem CID69272974
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide
SMILESCC(=O)NC(O)C1C=CCC1
InChIInChI=1S/C8H13NO2/c1-6(10)9-8(11)7-4-2-3-5-7/h2,4,7-8,11H,3,5H2,1H3,(H,9,10)
InChIKeyBRPYMYNAJYGXCU-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.41
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 N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide?
The IUPAC name of N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide (CID 69272974) is N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide.
What is the SMILES notation for N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide?
The canonical SMILES for N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide is CC(=O)NC(O)C1C=CCC1.
What is the InChIKey of N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide?
The InChIKey is BRPYMYNAJYGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)9-8(11)7-4-2-3-5-7/h2,4,7-8,11H,3,5H2,1H3,(H,9,10).
What are the key properties of N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide?
N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide is sourced from PubChem (CID 69272974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).