N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide

C15H22N2O4 — CID 118867340

IUPACN-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C/C=C\CCCOC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C15H22N2O4/c1-11(18)16-12-7-4-2-3-5-10-21-15(20)13-8-6-9-17(13)14(12)19/h2,4,12-13H,3,5-10H2,1H3,(H,16,18)/b4-2-/t12-,13+/m1/s1
InChIKeyPXJVQLRLGGGPBG-MUEWNTGYSA-N
MW294.35 g/mol
LogP0.77
Rot. Bonds1

About N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide

N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide (PubChem CID 118867340) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
PubChem CID118867340
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C/C=C\CCCOC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C15H22N2O4/c1-11(18)16-12-7-4-2-3-5-10-21-15(20)13-8-6-9-17(13)14(12)19/h2,4,12-13H,3,5-10H2,1H3,(H,16,18)/b4-2-/t12-,13+/m1/s1
InChIKeyPXJVQLRLGGGPBG-MUEWNTGYSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-2,6-dimethylhepta-1,5-dienyl] (2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylate
CID 168298023
N-[(3R,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
CID 123462757
methyl (5R,7Z,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodec-7-ene-10-carboxylate
CID 134842544
ethyl (2S)-1-(2-acetamido-2-prop-2-enylpent-4-enoyl)pyrrolidine-2-carboxylate
CID 15126536
(Z)-7-((R)-2-Oxo-5-pentylcarbamoyloxymethyl-pyrrolidin-1-yl)-hept-5-enoic acid methyl ester
CID 9976315
methyl (8Z)-6-amino-5-oxo-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocine-3-carboxylate
CID 23571427
dodec-4-enyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 54310802
Dodec-4-enyl 5-oxopyrrolidine-2-carboxylate
CID 54310803
Dec-4-enyl 5-oxopyrrolidine-2-carboxylate
CID 54409682
dec-4-enyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 54409683
ethyl (3S,6S,8Z,10aR)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocine-3-carboxylate
CID 57558944
[3-(dimethylamino)-2-[[(5Z,8Z)-undeca-5,8-dienoyl]amino]propyl] (5Z,8Z)-undeca-5,8-dienoate
CID 58498188

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide?
The IUPAC name of N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide (CID 118867340) is N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide.
What is the SMILES notation for N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide?
The canonical SMILES for N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide is CC(=O)N[C@@H]1C/C=C\CCCOC(=O)[C@@H]2CCCN2C1=O.
What is the InChIKey of N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide?
The InChIKey is PXJVQLRLGGGPBG-MUEWNTGYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)16-12-7-4-2-3-5-10-21-15(20)13-8-6-9-17(13)14(12)19/h2,4,12-13H,3,5-10H2,1H3,(H,16,18)/b4-2-/t12-,13+/m1/s1.
What are the key properties of N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide?
N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide is sourced from PubChem (CID 118867340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).