N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide

C11H15NO2 — CID 171532225

IUPACN-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide
SMILESC=C/C=C(\C=C)CC(NC=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-4-6-10(5-2)7-11(9(3)14)12-8-13/h4-6,8,11H,1-2,7H2,3H3,(H,12,13)/b10-6+
InChIKeyLOQYQAMHXBKRAI-UXBLZVDNSA-N
MW193.25 g/mol
LogP1.38
Rot. Bonds7

About N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide

N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide (PubChem CID 171532225) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide
PubChem CID171532225
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide
SMILESC=C/C=C(\C=C)CC(NC=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-4-6-10(5-2)7-11(9(3)14)12-8-13/h4-6,8,11H,1-2,7H2,3H3,(H,12,13)/b10-6+
InChIKeyLOQYQAMHXBKRAI-UXBLZVDNSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
CID 138967080
N-[(3S,5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]-2,2,2-trifluoroacetamide
CID 156751181
N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide
CID 178058168
(6S,8Z,10Z,12S)-12-acetyl-8-ethenyl-10-ethylidene-3-methyl-6-(methylamino)-1,4-diazacyclododec-8-ene-2,5-dione
CID 53889198
N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
CID 67814195
methyl N-[(E,3S)-4-ethenyl-2-oxohex-4-en-3-yl]carbamate
CID 88544067
methyl N-[(E)-4-ethenyl-2-oxohex-4-en-3-yl]carbamate
CID 88948562
methyl N-[(Z)-5-methylidene-2-oxooct-6-en-3-yl]carbamate
CID 88948563
methyl N-[(4S,6Z,8Z)-6-ethenyl-3-oxodeca-6,8-dien-4-yl]carbamate
CID 88994543
methyl N-[(3S,5Z,7Z)-5-ethenyl-2-oxonona-5,7-dien-3-yl]carbamate
CID 89492998
(Z,3S,5E)-5-cyclohexa-2,4-dien-1-ylidene-3-(methylamino)oct-6-en-2-one
CID 126551781
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
CID 126612378

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide?
The IUPAC name of N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide (CID 171532225) is N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide.
What is the SMILES notation for N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide?
The canonical SMILES for N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide is C=C/C=C(\C=C)CC(NC=O)C(C)=O.
What is the InChIKey of N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide?
The InChIKey is LOQYQAMHXBKRAI-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-6-10(5-2)7-11(9(3)14)12-8-13/h4-6,8,11H,1-2,7H2,3H3,(H,12,13)/b10-6+.
What are the key properties of N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide?
N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide has a molecular weight of 193.25 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide is sourced from PubChem (CID 171532225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).