2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide

C8H13NO — CID 15668606

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)6-7-4-2-3-5-7/h2,4,7H,3,5-6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyBYJMUKYPASBDFF-ZETCQYMHSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds2

About 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide (PubChem CID 15668606) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
PubChem CID15668606
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)6-7-4-2-3-5-7/h2,4,7H,3,5-6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyBYJMUKYPASBDFF-ZETCQYMHSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide (CID 15668606) is 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide is CNC(=O)C[C@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide?
The InChIKey is BYJMUKYPASBDFF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8(10)6-7-4-2-3-5-7/h2,4,7H,3,5-6H2,1H3,(H,9,10)/t7-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide has a molecular weight of 139.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide is sourced from PubChem (CID 15668606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).