N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

C16H17N3O3 — CID 111661251

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C16H17N3O3/c20-10-11-5-6-12(7-11)18-15(21)9-19-14-4-2-1-3-13(14)17-8-16(19)22/h1-6,8,11-12,20H,7,9-10H2,(H,18,21)/t11-,12+/m0/s1
InChIKeyJIYMGJQHJADEOF-NWDGAFQWSA-N
MW299.33 g/mol
LogP0.45
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 111661251) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID111661251
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C16H17N3O3/c20-10-11-5-6-12(7-11)18-15(21)9-19-14-4-2-1-3-13(14)17-8-16(19)22/h1-6,8,11-12,20H,7,9-10H2,(H,18,21)/t11-,12+/m0/s1
InChIKeyJIYMGJQHJADEOF-NWDGAFQWSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 111661798
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785403
2-(2-oxoquinoxalin-1-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95136993
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 98431117
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111460103
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 111661251) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is JIYMGJQHJADEOF-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-10-11-5-6-12(7-11)18-15(21)9-19-14-4-2-1-3-13(14)17-8-16(19)22/h1-6,8,11-12,20H,7,9-10H2,(H,18,21)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 111661251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).