3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide

C10H16BrNO — CID 106173068

IUPAC3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
SMILESO=C(CCBr)NCCC1=CCCC1
InChIInChI=1S/C10H16BrNO/c11-7-5-10(13)12-8-6-9-3-1-2-4-9/h3H,1-2,4-8H2,(H,12,13)
InChIKeyDYDCTLIZVHRXTO-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.39
Rot. Bonds5

About 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide

3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide (PubChem CID 106173068) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
PubChem CID106173068
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
SMILESO=C(CCBr)NCCC1=CCCC1
InChIInChI=1S/C10H16BrNO/c11-7-5-10(13)12-8-6-9-3-1-2-4-9/h3H,1-2,4-8H2,(H,12,13)
InChIKeyDYDCTLIZVHRXTO-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
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3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
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N-[2-(cyclopenten-1-yl)ethyl]prop-2-enamide
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3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide?
The IUPAC name of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide (CID 106173068) is 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide?
The canonical SMILES for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide is O=C(CCBr)NCCC1=CCCC1.
What is the InChIKey of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide?
The InChIKey is DYDCTLIZVHRXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-7-5-10(13)12-8-6-9-3-1-2-4-9/h3H,1-2,4-8H2,(H,12,13).
What are the key properties of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide?
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide has a molecular weight of 246.15 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide is sourced from PubChem (CID 106173068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).