2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide

C9H14BrNO — CID 81223051

IUPAC2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CBr)C1=CCCC1
InChIInChI=1S/C9H14BrNO/c1-2-11(9(12)7-10)8-5-3-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyRRMQDCQLGVEQIL-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.30
Rot. Bonds3

About 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide

2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 81223051) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID81223051
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CBr)C1=CCCC1
InChIInChI=1S/C9H14BrNO/c1-2-11(9(12)7-10)8-5-3-4-6-8/h5H,2-4,6-7H2,1H3
InChIKeyRRMQDCQLGVEQIL-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 81223051) is 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CBr)C1=CCCC1.
What is the InChIKey of 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is RRMQDCQLGVEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-2-11(9(12)7-10)8-5-3-4-6-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 232.12 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 81223051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).