(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate

C11H15NO5 — CID 85239451

IUPAC(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)NC1C(OC(C)=O)C=CC1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13)
InChIKeyMTQYVHVMNFWMIV-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.08
Rot. Bonds3

About (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate

(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate (PubChem CID 85239451) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate
PubChem CID85239451
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)NC1C(OC(C)=O)C=CC1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13)
InChIKeyMTQYVHVMNFWMIV-UHFFFAOYSA-N
XLogP-0.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triacetylsphingosine
CID 9888664
[(E,2S,3S)-2-acetamido-3-acetyloxyoctadec-4-enyl] acetate
CID 13395628
(2-Acetamido-3-acetyloxyoctadec-4-enyl) acetate
CID 538241
[(2S,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 10933640
[(2R,3R)-1-acetyl-2-[(1S)-1-acetyloxyprop-2-enyl]-3,6-dihydro-2H-pyridin-3-yl] acetate
CID 11208287
[(1R,4S)-4-acetyloxy-5-[acetyl(prop-2-enyl)amino]cyclopent-2-en-1-yl] acetate
CID 11448889
[(2S,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 11791340
[(2R,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592565
[(2R,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592566
[(1R,4S,5S)-4-hydroxy-5-[(2,2,2-trichloroacetyl)amino]cyclopent-2-en-1-yl] acetate
CID 25259237
2-Acetoamido-1,3-diacetoxy-9-methyl-4,8-octadecanediene
CID 72792142
2-Acetamido-1,3-diacetoxy-4,8,10-octadecatriene
CID 129725879

Frequently Asked Questions

What is the IUPAC name of (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate?
The IUPAC name of (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate (CID 85239451) is (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate is CC(=O)NC1C(OC(C)=O)C=CC1OC(C)=O.
What is the InChIKey of (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate?
The InChIKey is MTQYVHVMNFWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6(13)12-11-9(16-7(2)14)4-5-10(11)17-8(3)15/h4-5,9-11H,1-3H3,(H,12,13).
What are the key properties of (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate?
(5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate has a molecular weight of 241.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-4-acetyloxycyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 85239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).