5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide

C11H12BrNO3 — CID 111661261

IUPAC5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Br)o1
InChIInChI=1S/C11H12BrNO3/c12-10-4-3-9(16-10)11(15)13-8-2-1-7(5-8)6-14/h1-4,7-8,14H,5-6H2,(H,13,15)/t7-,8+/m0/s1
InChIKeyKEVNKNMIRVSSEG-JGVFFNPUSA-N
MW286.12 g/mol
LogP1.71
Rot. Bonds3

About 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide

5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide (PubChem CID 111661261) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
PubChem CID111661261
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Br)o1
InChIInChI=1S/C11H12BrNO3/c12-10-4-3-9(16-10)11(15)13-8-2-1-7(5-8)6-14/h1-4,7-8,14H,5-6H2,(H,13,15)/t7-,8+/m0/s1
InChIKeyKEVNKNMIRVSSEG-JGVFFNPUSA-N
XLogP1.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696841
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide (CID 111661261) is 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
The InChIKey is KEVNKNMIRVSSEG-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-10-4-3-9(16-10)11(15)13-8-2-1-7(5-8)6-14/h1-4,7-8,14H,5-6H2,(H,13,15)/t7-,8+/m0/s1.
What are the key properties of 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide?
5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide is sourced from PubChem (CID 111661261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).