(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide

C9H12N2O2 — CID 177149097

IUPAC(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
SMILESC=C/C=C\C(=C/C)NC(=O)/C=N/O
InChIInChI=1S/C9H12N2O2/c1-3-5-6-8(4-2)11-9(12)7-10-13/h3-7,13H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+
InChIKeyCOZKMEAPDARGPV-GZBAQZRKSA-N
MW180.21 g/mol
LogP1.21
Rot. Bonds4

About (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide

(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide (PubChem CID 177149097) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
PubChem CID177149097
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
SMILESC=C/C=C\C(=C/C)NC(=O)/C=N/O
InChIInChI=1S/C9H12N2O2/c1-3-5-6-8(4-2)11-9(12)7-10-13/h3-7,13H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+
InChIKeyCOZKMEAPDARGPV-GZBAQZRKSA-N
XLogP1.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
CID 143464516
(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
CID 166956386
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
3-ethylidenehepta-4,6-dienoic acid
CID 90984138

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide (CID 177149097) is (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide is C=C/C=C\C(=C/C)NC(=O)/C=N/O.
What is the InChIKey of (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide?
The InChIKey is COZKMEAPDARGPV-GZBAQZRKSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-5-6-8(4-2)11-9(12)7-10-13/h3-7,13H,1H2,2H3,(H,11,12)/b6-5-,8-4+,10-7+.
What are the key properties of (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide?
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide has a molecular weight of 180.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 177149097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).