[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate

C10H15NO3 — CID 10867271

IUPAC[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)N[C@H]1C=C[C@@H](COC(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12)/t9-,10+/m1/s1
InChIKeyNUVGPCPCBFRPHQ-ZJUUUORDSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds3

About [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate

[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate (PubChem CID 10867271) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate
PubChem CID10867271
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate
SMILESCC(=O)N[C@H]1C=C[C@@H](COC(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12)/t9-,10+/m1/s1
InChIKeyNUVGPCPCBFRPHQ-ZJUUUORDSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10877544
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methyl acetate
CID 15273291
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate
CID 141129683
[(2S,3S,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)piperidin-2-yl]methyl acetate
CID 139044325
tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
CID 102483030
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide
CID 111661278
[(3R,6R)-3-(methylcarbamothioylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91131254
cyclopropylmethyl acetate
CID 538333
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate?
The IUPAC name of [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate (CID 10867271) is [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate.
What is the SMILES notation for [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate?
The canonical SMILES for [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate is CC(=O)N[C@H]1C=C[C@@H](COC(C)=O)C1.
What is the InChIKey of [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate?
The InChIKey is NUVGPCPCBFRPHQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12)/t9-,10+/m1/s1.
What are the key properties of [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate?
[(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate has a molecular weight of 197.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-acetamidocyclopent-2-en-1-yl]methyl acetate is sourced from PubChem (CID 10867271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).