(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide

C14H15NO4 — CID 10825294

IUPAC(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide
SMILESC=C[C@@]1(O)C=C(NC(=O)/C=C/C=C/C)C(=O)[C@@H]2O[C@@H]21
InChIInChI=1S/C14H15NO4/c1-3-5-6-7-10(16)15-9-8-14(18,4-2)13-12(19-13)11(9)17/h3-8,12-13,18H,2H2,1H3,(H,15,16)/b5-3+,7-6+/t12-,13-,14+/m0/s1
InChIKeyAWTHZSBOZQHKQU-AWGULZPZSA-N
MW261.28 g/mol
LogP0.39
Rot. Bonds4

About (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide

(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide (PubChem CID 10825294) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide
PubChem CID10825294
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide
SMILESC=C[C@@]1(O)C=C(NC(=O)/C=C/C=C/C)C(=O)[C@@H]2O[C@@H]21
InChIInChI=1S/C14H15NO4/c1-3-5-6-7-10(16)15-9-8-14(18,4-2)13-12(19-13)11(9)17/h3-8,12-13,18H,2H2,1H3,(H,15,16)/b5-3+,7-6+/t12-,13-,14+/m0/s1
InChIKeyAWTHZSBOZQHKQU-AWGULZPZSA-N
XLogP0.39
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Manumycin
CID 6438330
Asukamycin
CID 6441014
(2E,4E,6R)-N-[(1S,5R,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
CID 11981008
(2E,4E)-N-[5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
CID 5387246
U 56407
CID 6439820
EI-1511-3
CID 10696525
EI-1625-2
CID 10743861
EI-1511-5
CID 10792075
LL-C 10037alpha
CID 125065
Nisamycin
CID 6444288
N-((1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)acetamide
CID 10465793
(3E,5E)-N-[5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3,5,7-trimethylundeca-3,5-dienamide
CID 44332289

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide (CID 10825294) is (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide is C=C[C@@]1(O)C=C(NC(=O)/C=C/C=C/C)C(=O)[C@@H]2O[C@@H]21.
What is the InChIKey of (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide?
The InChIKey is AWTHZSBOZQHKQU-AWGULZPZSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-5-6-7-10(16)15-9-8-14(18,4-2)13-12(19-13)11(9)17/h3-8,12-13,18H,2H2,1H3,(H,15,16)/b5-3+,7-6+/t12-,13-,14+/m0/s1.
What are the key properties of (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide?
(2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide has a molecular weight of 261.28 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(1R,5R,6S)-5-ethenyl-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hexa-2,4-dienamide is sourced from PubChem (CID 10825294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).