(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide

C12H14N2O3 — CID 143008890

IUPAC(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide
SMILESC=C/C(C#CCNC=O)=C\C=C(/C)C(=O)NO
InChIInChI=1S/C12H14N2O3/c1-3-11(5-4-8-13-9-15)7-6-10(2)12(16)14-17/h3,6-7,9,17H,1,8H2,2H3,(H,13,15)(H,14,16)/b10-6+,11-7+
InChIKeyHVJLGRKUFDXNPF-JMQWPVDRSA-N
MW234.25 g/mol
LogP0.30
Rot. Bonds5

About (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide

(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide (PubChem CID 143008890) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide.

Molecular Properties

Compound Name(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide
PubChem CID143008890
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide
SMILESC=C/C(C#CCNC=O)=C\C=C(/C)C(=O)NO
InChIInChI=1S/C12H14N2O3/c1-3-11(5-4-8-13-9-15)7-6-10(2)12(16)14-17/h3,6-7,9,17H,1,8H2,2H3,(H,13,15)(H,14,16)/b10-6+,11-7+
InChIKeyHVJLGRKUFDXNPF-JMQWPVDRSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide;2-methyl-1-benzothiophene
CID 143008889
N-hydroxy-2-methylhexa-2,5-dienamide
CID 173014431
(3E)-6-bromo-3-ethylidenehex-1-en-4-yne
CID 164549596
(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935
N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499
butane;(2E)-N,2-dimethylpenta-2,4-dienamide
CID 143504833
N-(formamidomethyl)prop-2-enamide
CID 19959511
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-2-one
CID 89271005
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
methyl (2E,4E)-2,5-dimethylhepta-2,4,6-trienoate
CID 87948961
(Z)-N-hydroxy-3,5-dimethyl-2-methylidenehept-5-enamide
CID 155362173

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide?
The IUPAC name of (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide (CID 143008890) is (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide.
What is the SMILES notation for (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide?
The canonical SMILES for (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide is C=C/C(C#CCNC=O)=C\C=C(/C)C(=O)NO.
What is the InChIKey of (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide?
The InChIKey is HVJLGRKUFDXNPF-JMQWPVDRSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-11(5-4-8-13-9-15)7-6-10(2)12(16)14-17/h3,6-7,9,17H,1,8H2,2H3,(H,13,15)(H,14,16)/b10-6+,11-7+.
What are the key properties of (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide?
(2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide has a molecular weight of 234.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-ethenyl-8-formamido-N-hydroxy-2-methylocta-2,4-dien-6-ynamide is sourced from PubChem (CID 143008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).